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

Systemtic Name: (2S)-N-ethyl-2-methyl-N-phenyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-ethyl-2-methyl-N-phenyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-ethyl-2-methyl-N-phenyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-ethyl-2-methyl-N-phenyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-ethyl-2-methyl-N-phenyl-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(=O)C(C)CS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)CS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H25N3O3S/c1-3-19(15-7-5-4-6-8-15)16(20)14(2)13-23(21,22)18-11-9-17-10-12-18/h4-8,14,17H,3,9-13H2,1-2H3/p+1/t14-/m1/s1