1-[(4-ethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(4-ethoxybenzyl)-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C23H27N2O3S+ MolecularWeight: 411.53708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H26N2O3S/c1-2-28-22-10-7-19(8-11-22)18-24-13-15-25(16-14-24)29(26,27)23-12-9-20-5-3-4-6-21(20)17-23/h3-12,17H,2,13-16,18H2,1H3/p+1