1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]piperazine-1,4-diium CAS Name: 1-[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]piperazine-1,4-diium Formula: C23H33N3O3S+2 MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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