N-(2-ethyl-6-methyl-phenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-(2-ethyl-6-methylphenyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCS(=O)(=O)N2CC[NH2+]CC2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCS(=O)(=O)N2CC[NH2+]CC2)C

InChI

InChI=1S/C16H25N3O3S/c1-3-14-6-4-5-13(2)16(14)18-15(20)7-12-23(21,22)19-10-8-17-9-11-19/h4-6,17H,3,7-12H2,1-2H3,(H,18,20)/p+1