N-[(2S)-3-methyl-1-oxidanylidene-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide Openeye Name: N-[(1S)-2-methyl-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]propyl]cyclohexanecarboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide Traditional Name: N-[(1S)-2-methyl-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]propyl]cyclohexanecarboxamide Formula: C24H38N3O2+ MolecularWeight: 400.57742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1C[NH+]2CCCC2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CC=C1C[NH+]2CCCC2)NC(=O)C3CCCCC3

InChI

InChI=1S/C24H37N3O2/c1-18(2)22(26-23(28)19-10-4-3-5-11-19)24(29)25-16-20-12-6-7-13-21(20)17-27-14-8-9-15-27/h6-7,12-13,18-19,22H,3-5,8-11,14-17H2,1-2H3,(H,25,29)(H,26,28)/p+1/t22-/m0/s1