1-(phenylmethyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-benzylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(phenylmethyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-benzylsulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H28N2O5S/c1-26-19-10-9-18(20(27-2)21(19)28-3)15-22-11-13-23(14-12-22)29(24,25)16-17-7-5-4-6-8-17/h4-10H,11-16H2,1-3H3/p+1