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

Systemtic Name: 2-[3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethylazanium Traditional Name: 2-[3-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium Formula: C19H32ClN3O+2 MolecularWeight: 353.92988

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H30ClN3O/c1-22(2)14-11-21-19(24)8-5-16-9-12-23(13-10-16)15-17-3-6-18(20)7-4-17/h3-4,6-7,16H,5,8-15H2,1-2H3,(H,21,24)/p+2