(2S,3S)-2-azanyl-3-methyl-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]pentanamide

Systemtic Name: (2S,3S)-2-azanyl-3-methyl-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]pentanamide Openeye Name: (2S,3S)-2-amino-3-methyl-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]pentanamide CAS Name: (2S,3S)-2-amino-3-methyl-N-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]pentanamide IUPAC Name: (2S,3S)-2-amino-3-methyl-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]pentanamide Traditional Name: (2S,3S)-2-amino-3-methyl-N-[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]valeramide Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=C(C=C1)CN2C=C[N+](=C2)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CC=C(C=C1)CN2C=C[N+](=C2)C)N

InChI

InChI=1S/C18H26N4O/c1-4-14(2)17(19)18(23)20-11-15-5-7-16(8-6-15)12-22-10-9-21(3)13-22/h5-10,13-14,17H,4,11-12,19H2,1-3H3/p+1/t14-,17-/m0/s1