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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC)OC

InChI

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