3-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide CAS Name: 3-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide Traditional Name: 3-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethylsulfonyl]propionamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCS(=O)(=O)CCC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C16H25N3O3S/c1-14-3-2-4-15(13-14)19-8-6-18(7-9-19)10-12-23(21,22)11-5-16(17)20/h2-4,13H,5-12H2,1H3,(H2,17,20)/p+1