1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-4-(3-pyridylmethyl)piperazin-4-ium Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4S/c1-18-6-9-26(10-7-18)32(30,31)20-4-5-21(22(15-20)27(28)29)25-13-11-24(12-14-25)17-19-3-2-8-23-16-19/h2-5,8,15-16,18H,6-7,9-14,17H2,1H3/p+1