1-(phenylmethyl)-4-(4-propoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-(4-propoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzyl-4-(4-propoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-(4-propoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzyl-4-(4-propoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(4-propoxyphenyl)sulfonyl-piperazin-1-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O3S/c1-2-16-25-19-8-10-20(11-9-19)26(23,24)22-14-12-21(13-15-22)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3/p+1