N-(2,5-dimethylphenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-(2,5-dimethylphenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-(2,5-dimethylphenyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-(2,5-dimethylphenyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(2,5-dimethylphenyl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3S/c1-12-3-4-13(2)14(11-12)17-15(19)5-10-22(20,21)18-8-6-16-7-9-18/h3-4,11,16H,5-10H2,1-2H3,(H,17,19)/p+1