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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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