N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4-propyl-benzenesulfonamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4-propyl-benzenesulfonamide CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-4-propylbenzenesulfonamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4-propylbenzenesulfonamide Traditional Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-4-propyl-benzenesulfonamide Formula: C23H34N3O3S+ MolecularWeight: 432.59936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H33N3O3S/c1-3-5-20-6-12-23(13-7-20)30(27,28)24-14-4-15-25-16-18-26(19-17-25)21-8-10-22(29-2)11-9-21/h6-13,24H,3-5,14-19H2,1-2H3/p+1