1-(1-benzothiophen-3-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Formula: C20H23N2O3S2+ MolecularWeight: 403.53822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C20H22N2O3S2/c1-25-17-6-8-18(9-7-17)27(23,24)22-12-10-21(11-13-22)14-16-15-26-20-5-3-2-4-19(16)20/h2-9,15H,10-14H2,1H3/p+1