[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidyl]methanone CAS Name: [1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidyl]methanone Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O5S/c1-32-22-8-9-23(33-2)24(18-22)34(30,31)28-12-10-21(11-13-28)25(29)27-16-14-26(15-17-27)19-20-6-4-3-5-7-20/h3-9,18,21H,10-17,19H2,1-2H3/p+1