1-(4-methoxyphenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Formula: C23H33N3O3S+2 MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3S/c1-29-22-7-9-23(10-8-22)30(27,28)26-17-15-25(16-18-26)21-11-13-24(14-12-21)19-20-5-3-2-4-6-20/h2-10,21H,11-19H2,1H3/p+2