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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

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