N-(3-chloranyl-4-methyl-phenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C14H21ClN3O3S+ MolecularWeight: 346.85284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O3S/c1-11-2-3-12(10-13(11)15)17-14(19)4-9-22(20,21)18-7-5-16-6-8-18/h2-3,10,16H,4-9H2,1H3,(H,17,19)/p+1