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

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-dimethylaminophenyl)propanamide Openeye Name: (2S)-N-(4-dimethylaminophenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(4-dimethylaminophenyl)propanamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-dimethylaminophenyl)propanamide Traditional Name: (2S)-N-(4-dimethylaminophenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N(C)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C24H32N4O3S/c1-18(24(29)25-21-8-10-22(11-9-21)26(2)3)27-13-15-28(16-14-27)32(30,31)23-12-7-19-5-4-6-20(19)17-23/h7-12,17-18H,4-6,13-16H2,1-3H3,(H,25,29)/p+1/t18-/m0/s1