1H-imidazol-5-ylmethyl-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: 1H-imidazol-5-ylmethyl-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: 1H-imidazol-5-ylmethyl-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]ammonium CAS Name: 1H-imidazol-5-ylmethyl-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: 1H-imidazol-5-ylmethyl-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Traditional Name: 1H-imidazol-5-ylmethyl-[[2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methyl]ammonium Formula: C21H28N6O+2 MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)C[NH2+]CC4=CN=CN4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)C[NH2+]CC4=CN=CN4

InChI

InChI=1S/C21H26N6O/c1-28-20-7-3-2-6-19(20)26-9-11-27(12-10-26)21-17(5-4-8-24-21)13-22-14-18-15-23-16-25-18/h2-8,15-16,22H,9-14H2,1H3,(H,23,25)/p+2