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

Systemtic Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidin-3-yl]methanone Openeye Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(5-nitropyridin-1-ium-2-yl)-3-piperidyl]methanone CAS Name: [4-(2-methoxyphenyl)-1-piperazinyl]-[(3S)-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinyl]methanone IUPAC Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidin-3-yl]methanone Traditional Name: [4-(2-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=CC=C1N2CCN(CC2)C(=O)C3CCCN(C3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H]3CCCN(C3)C4=[NH+]C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-31-20-7-3-2-6-19(20)24-11-13-25(14-12-24)22(28)17-5-4-10-26(16-17)21-9-8-18(15-23-21)27(29)30/h2-3,6-9,15,17H,4-5,10-14,16H2,1H3/p+1/t17-/m0/s1