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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(4-ethenylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(4-vinylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[(4-ethenylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(4-ethenylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(4-vinylbenzoyl)amino]propyl-dimethyl-ammonium Formula: C29H41N3O+2 MolecularWeight: 447.65534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O/c1-4-23-10-12-25(13-11-23)29(33)32(17-7-16-30(2)3)22-24-14-18-31(19-15-24)28-20-26-8-5-6-9-27(26)21-28/h4-6,8-13,24,28H,1,7,14-22H2,2-3H3/p+2