2-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[1-(3-chlorobenzyl)piperidin-1-ium-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C24H34ClN3O+2 MolecularWeight: 415.99926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H32ClN3O/c1-26(2)15-16-28(19-20-7-4-3-5-8-20)24(29)22-11-13-27(14-12-22)18-21-9-6-10-23(25)17-21/h3-10,17,22H,11-16,18-19H2,1-2H3/p+2