[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl-(pyridin-2-ylmethyl)azanium

Systemtic Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl-(2-pyridylmethyl)ammonium CAS Name: [2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methyl-(2-pyridylmethyl)ammonium Formula: C23H29N5O+2 MolecularWeight: 391.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)C[NH2+]CC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)C[NH2+]CC4=CC=CC=N4

InChI

InChI=1S/C23H27N5O/c1-29-22-10-3-2-9-21(22)27-13-15-28(16-14-27)23-19(7-6-12-26-23)17-24-18-20-8-4-5-11-25-20/h2-12,24H,13-18H2,1H3/p+2