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6-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
6-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=C(C=C4CCCC4=C3)O
Isomeric SMILES
CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=C(C=C4CCCC4=C3)O
InChI
InChI=1S/C21H26N2O/c1-16-4-2-7-20(12-16)23-10-8-22(9-11-23)15-19-13-17-5-3-6-18(17)14-21(19)24/h2,4,7,12-14,24H,3,5-6,8-11,15H2,1H3/p+1
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