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

Systemtic Name: (2S)-2-azanyl-3-methyl-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]butanamide Openeye Name: (2S)-2-amino-3-methyl-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]butanamide CAS Name: (2S)-2-amino-3-methyl-N-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]butanamide IUPAC Name: (2S)-2-amino-3-methyl-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]butanamide Traditional Name: (2S)-2-amino-3-methyl-N-[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]butyramide Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O/c1-13(2)16(18)17(22)19-10-14-4-6-15(7-5-14)11-21-9-8-20(3)12-21/h4-9,12-13,16H,10-11,18H2,1-3H3/p+1/t16-/m0/s1