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

Systemtic Name: 3-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[1-(3-chlorobenzyl)piperidin-1-ium-4-carbonyl]amino]propyl-dimethyl-ammonium Formula: C18H30ClN3O+2 MolecularWeight: 339.9033

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H28ClN3O/c1-21(2)10-4-9-20-18(23)16-7-11-22(12-8-16)14-15-5-3-6-17(19)13-15/h3,5-6,13,16H,4,7-12,14H2,1-2H3,(H,20,23)/p+2