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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-[(E)-4-methylpent-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-[(E)-4-methylpent-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[(E)-4-methyl-1-oxopent-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-[(E)-4-methylpent-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-[(E)-4-methylpent-2-enoyl]amino]propyl-dimethyl-ammonium Formula: C26H43N3O+2 MolecularWeight: 413.63912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(=O)N(CCC[NH+](C)C)CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2

Isomeric SMILES

CC(C)/C=C/C(=O)N(CCC[NH+](C)C)CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2

InChI

InChI=1S/C26H41N3O/c1-21(2)10-11-26(30)29(15-7-14-27(3)4)20-22-12-16-28(17-13-22)25-18-23-8-5-6-9-24(23)19-25/h5-6,8-11,21-22,25H,7,12-20H2,1-4H3/p+2/b11-10+