[3-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)propanoylamino]phenyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CCC(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)CCC(=O)NC2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C16H26N4O/c1-19-7-3-8-20(11-10-19)9-6-16(21)18-15-5-2-4-14(12-15)13-17/h2,4-5,12H,3,6-11,13,17H2,1H3,(H,18,21)/p+2