3-[cyclohexen-1-ylcarbonyl-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[cyclohexen-1-ylcarbonyl-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[cyclohexene-1-carbonyl-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-cyclohexenyl(oxo)methyl]-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[cyclohexene-1-carbonyl-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl]amino]propyl-dimethylazanium Traditional Name: 3-[cyclohexene-1-carbonyl-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C27H43N3O+2 MolecularWeight: 425.64982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)C4=CCCCC4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)C4=CCCCC4

InChI

InChI=1S/C27H41N3O/c1-28(2)15-8-16-30(27(31)23-9-4-3-5-10-23)21-22-13-17-29(18-14-22)26-19-24-11-6-7-12-25(24)20-26/h6-7,9,11-12,22,26H,3-5,8,10,13-21H2,1-2H3/p+2