methyl-[2-oxidanylidene-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-oxo-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-oxo-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethyl]azanium Traditional Name: benzyl-[2-keto-2-[4-(4-propylphenyl)sulfonylpiperazino]ethyl]-methyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-3-7-20-10-12-22(13-11-20)30(28,29)26-16-14-25(15-17-26)23(27)19-24(2)18-21-8-5-4-6-9-21/h4-6,8-13H,3,7,14-19H2,1-2H3/p+1