2-azanyl-1-(2,3-dihydro-1H-inden-5-yl)-1-[1-(phenylmethyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-azanyl-1-(2,3-dihydro-1H-inden-5-yl)-1-[1-(phenylmethyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-amino-1-(1-benzylpiperazin-1-ium-1-yl)-1-indan-5-yl-ethanol CAS Name: 2-amino-1-(2,3-dihydro-1H-inden-5-yl)-1-[1-(phenylmethyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-amino-1-(1-benzylpiperazin-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol Traditional Name: 2-amino-1-(1-benzylpiperazin-1-ium-1-yl)-1-indan-5-yl-ethanol Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(CN)([N+]3(CCNCC3)CC4=CC=CC=C4)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(CN)([N+]3(CCNCC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H30N3O/c23-17-22(26,21-10-9-19-7-4-8-20(19)15-21)25(13-11-24-12-14-25)16-18-5-2-1-3-6-18/h1-3,5-6,9-10,15,24,26H,4,7-8,11-14,16-17,23H2/q+1