1-naphthalen-2-ylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-naphthylsulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-naphthalenylsulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-naphthylsulfonyl)-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C24H29N2O5S+ MolecularWeight: 457.56246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-29-22-14-18(15-23(30-2)24(22)31-3)17-25-10-12-26(13-11-25)32(27,28)21-9-8-19-6-4-5-7-20(19)16-21/h4-9,14-16H,10-13,17H2,1-3H3/p+1