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

Systemtic Name: [2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methylamino]-2-oxoethyl]-dimethylammonium IUPAC Name: [2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxoethyl]-dimethylazanium Traditional Name: [2-keto-2-[[2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methylamino]ethyl]-dimethyl-ammonium Formula: C21H31N5O2+2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[NH+](C)CC(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H29N5O2/c1-24(2)16-20(27)23-15-17-7-6-10-22-21(17)26-13-11-25(12-14-26)18-8-4-5-9-19(18)28-3/h4-10H,11-16H2,1-3H3,(H,23,27)/p+2