N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C20H29N3O3S/c1-22-12-14-23(15-13-22)27(25,26)19-9-5-8-18(16-19)20(24)21-11-10-17-6-3-2-4-7-17/h5-6,8-9,16H,2-4,7,10-15H2,1H3,(H,21,24)/p+1