N-(3-methylphenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-(3-methylphenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-(m-tolyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-(3-methylphenyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-(3-methylphenyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(m-tolyl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C14H21N3O3S/c1-12-3-2-4-13(11-12)16-14(18)5-10-21(19,20)17-8-6-15-7-9-17/h2-4,11,15H,5-10H2,1H3,(H,16,18)/p+1