[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidin-3-yl]methanone

Systemtic Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidin-3-yl]methanone Openeye Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(5-nitropyridin-1-ium-2-yl)-3-piperidyl]methanone CAS Name: [4-(4-methoxyphenyl)-1-piperazinyl]-[(3S)-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinyl]methanone IUPAC Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidin-3-yl]methanone Traditional Name: [4-(4-methoxyphenyl)piperazino]-[(3S)-1-(5-nitropyridin-1-ium-2-yl)-3-piperidyl]methanone Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN(C3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H]3CCCN(C3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-31-20-7-4-18(5-8-20)24-11-13-25(14-12-24)22(28)17-3-2-10-26(16-17)21-9-6-19(15-23-21)27(29)30/h4-9,15,17H,2-3,10-14,16H2,1H3/p+1/t17-/m0/s1