[2,2-dimethyl-3-[[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[[1-(m-tolylmethyl)piperidin-1-ium-4-carbonyl]amino]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-[[1-(3-methylbenzyl)piperidin-1-ium-4-carbonyl]amino]propyl]-dimethyl-ammonium Formula: C21H37N3O+2 MolecularWeight: 347.53798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCC(C)(C)C[NH+](C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCC(C)(C)C[NH+](C)C

InChI

InChI=1S/C21H35N3O/c1-17-7-6-8-18(13-17)14-24-11-9-19(10-12-24)20(25)22-15-21(2,3)16-23(4)5/h6-8,13,19H,9-12,14-16H2,1-5H3,(H,22,25)/p+2