2,3-dihydro-1H-inden-5-yl-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-5-yl-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-indan-5-yl-ammonium CAS Name: 2,3-dihydro-1H-inden-5-yl-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-(2,3-dihydro-1H-inden-5-yl)azanium Traditional Name: [(1S)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]-indan-5-yl-ammonium Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH2+]C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH2+]C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H29N3O/c1-18(24-22-11-10-20-8-5-9-21(20)16-22)23(27)26-14-12-25(13-15-26)17-19-6-3-2-4-7-19/h2-4,6-7,10-11,16,18,24H,5,8-9,12-15,17H2,1H3/p+1/t18-/m0/s1