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

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H29N3O3S/c1-18(23(27)24-17-19-6-3-2-4-7-19)25-12-14-26(15-13-25)30(28,29)22-11-10-20-8-5-9-21(20)16-22/h2-4,6-7,10-11,16,18H,5,8-9,12-15,17H2,1H3,(H,24,27)/p+1/t18-/m1/s1