diethyl-[2-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: diethyl-[2-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: diethyl-[2-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxo-ethyl]ammonium CAS Name: diethyl-[2-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: diethyl-[2-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxoethyl]azanium Traditional Name: diethyl-[2-keto-2-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methylamino]ethyl]ammonium Formula: C23H35N5O+2 MolecularWeight: 397.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CC[NH+](CC)CC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C23H33N5O/c1-4-26(5-2)18-22(29)25-17-20-10-8-12-24-23(20)28-15-13-27(14-16-28)21-11-7-6-9-19(21)3/h6-12H,4-5,13-18H2,1-3H3,(H,25,29)/p+2