[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone

Systemtic Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone Openeye Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]methanone CAS Name: [4-(2-methoxyphenyl)-1-piperazinyl]-[1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinyl]methanone IUPAC Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone Traditional Name: [4-(2-methoxyphenyl)piperazino]-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]methanone Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-31-20-5-3-2-4-19(20)24-12-14-26(15-13-24)22(28)17-8-10-25(11-9-17)21-7-6-18(16-23-21)27(29)30/h2-7,16-17H,8-15H2,1H3/p+1