[2-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]phenyl]methylazanium

Systemtic Name: [2-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]phenyl]methylazanium Openeye Name: [2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]phenyl]methylammonium CAS Name: [2-[[2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]phenyl]methylazanium Traditional Name: [2-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]benzyl]ammonium Formula: C16H28N4O+2 MolecularWeight: 292.41972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)CC(=O)NC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CC(=O)NC2=CC=CC=C2C[NH3+]

InChI

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