[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl]-methyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

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