1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(4-ethoxy-1-naphthyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(4-ethoxy-1-naphthalenyl)sulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[(4-ethoxy-1-naphthyl)sulfonyl]piperazin-1-ium Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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