N-(cyclopenten-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: N-(cyclopenten-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: N-(cyclopenten-1-yl)-N-propyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyclopentenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: N-(cyclopenten-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: N-(cyclopenten-1-yl)-N-propyl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-3-12-24(19-6-4-5-7-19)21(25)17-22-13-15-23(16-14-22)28(26,27)20-10-8-18(2)9-11-20/h6,8-11H,3-5,7,12-17H2,1-2H3/p+1