(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-2-phenyl-ethanamide Openeye Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N,N-dimethyl-2-phenyl-acetamide CAS Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N,N-dimethyl-2-phenylacetamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-2-phenylacetamide Traditional Name: (2S)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N,N-dimethyl-2-phenyl-acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H29N3O3S/c1-24(2)23(27)22(19-7-4-3-5-8-19)25-13-15-26(16-14-25)30(28,29)21-12-11-18-9-6-10-20(18)17-21/h3-5,7-8,11-12,17,22H,6,9-10,13-16H2,1-2H3/p+1/t22-/m0/s1