(4S,5S,7S)-5-azanyl-N-butyl-7-[[4-tert-butyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)methoxy]phenyl]methyl]-2,8-dimethyl-4-oxidanyl-nonanamide

Systemtic Name: (4S,5S,7S)-5-azanyl-N-butyl-7-[[4-tert-butyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)methoxy]phenyl]methyl]-2,8-dimethyl-4-oxidanyl-nonanamide Openeye Name: (4S,5S,7S)-5-amino-N-butyl-7-[[4-tert-butyl-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]phenyl]methyl]-4-hydroxy-2,8-dimethyl-nonanamide CAS Name: (4S,5S,7S)-5-amino-N-butyl-7-[[4-tert-butyl-3-[(1-oxido-2-pyridin-1-iumyl)methoxy]phenyl]methyl]-4-hydroxy-2,8-dimethylnonanamide IUPAC Name: (4S,5S,7S)-5-amino-N-butyl-7-[[4-tert-butyl-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]phenyl]methyl]-4-hydroxy-2,8-dimethylnonanamide Traditional Name: (4S,5S,7S)-5-amino-N-butyl-7-[4-tert-butyl-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzyl]-4-hydroxy-2,8-dimethyl-pelargonamide Formula: C32H51N3O4 MolecularWeight: 541.76504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(CC1=CC(=C(C=C1)C(C)(C)C)OCC2=CC=CC=[N+]2[O-])C(C)C)N)O

Isomeric SMILES

CCCCNC(=O)C(C)C[C@@H]([C@H](C[C@H](CC1=CC(=C(C=C1)C(C)(C)C)OCC2=CC=CC=[N+]2[O-])C(C)C)N)O

InChI

InChI=1S/C32H51N3O4/c1-8-9-15-34-31(37)23(4)17-29(36)28(33)20-25(22(2)3)18-24-13-14-27(32(5,6)7)30(19-24)39-21-26-12-10-11-16-35(26)38/h10-14,16,19,22-23,25,28-29,36H,8-9,15,17-18,20-21,33H2,1-7H3,(H,34,37)/t23?,25-,28-,29-/m0/s1