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

Systemtic Name: [4-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]phenyl]methylazanium Openeye Name: [4-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]phenyl]methylammonium CAS Name: [4-[[2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [4-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]phenyl]methylazanium Traditional Name: [4-[[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=C(C=C2)C[NH3+]

Isomeric SMILES

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

InChI

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