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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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