1-[(3,4-dimethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(2-naphthylsulfonyl)-4-veratryl-piperazin-4-ium Formula: C23H27N2O4S+ MolecularWeight: 427.53648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C23H26N2O4S/c1-28-22-10-7-18(15-23(22)29-2)17-24-11-13-25(14-12-24)30(26,27)21-9-8-19-5-3-4-6-20(19)16-21/h3-10,15-16H,11-14,17H2,1-2H3/p+1