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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-methoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-methoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[(3-methoxyphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-methoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-m-anisoyl-amino]propyl-dimethyl-ammonium Formula: C28H41N3O2+2 MolecularWeight: 451.64404

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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(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2/c1-29(2)14-7-15-31(28(32)25-10-6-11-27(20-25)33-3)21-22-12-16-30(17-13-22)26-18-23-8-4-5-9-24(23)19-26/h4-6,8-11,20,22,26H,7,12-19,21H2,1-3H3/p+2