[3-[[(2S)-2-(4-methyl-1,4-diazepan-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium

Systemtic Name: [3-[[(2S)-2-(4-methyl-1,4-diazepan-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium Openeye Name: [3-[[(2S)-2-(4-methyl-1,4-diazepan-1-ium-1-yl)propanoyl]amino]phenyl]methylammonium CAS Name: [3-[[(2S)-2-(4-methyl-1,4-diazepan-1-ium-1-yl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[[(2S)-2-(4-methyl-1,4-diazepan-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium Traditional Name: [3-[[(2S)-2-(4-methyl-1,4-diazepan-1-ium-1-yl)propanoyl]amino]benzyl]ammonium Formula: C16H28N4O+2 MolecularWeight: 292.41972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+]2CCCN(CC2)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+]2CCCN(CC2)C

InChI

InChI=1S/C16H26N4O/c1-13(20-8-4-7-19(2)9-10-20)16(21)18-15-6-3-5-14(11-15)12-17/h3,5-6,11,13H,4,7-10,12,17H2,1-2H3,(H,18,21)/p+2/t13-/m0/s1