3-(3,4-dichlorophenyl)-3-ethyl-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one

Systemtic Name: 3-(3,4-dichlorophenyl)-3-ethyl-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one Openeye Name: 3-(3,4-dichlorophenyl)-3-ethyl-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one CAS Name: 3-(3,4-dichlorophenyl)-3-ethyl-1-phenyl-1-[2-(1-pyrrolidinyl)ethyl]-2-piperidin-1-iumone IUPAC Name: 3-(3,4-dichlorophenyl)-3-ethyl-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one Traditional Name: 3-(3,4-dichlorophenyl)-3-ethyl-1-phenyl-1-(2-pyrrolidinoethyl)piperidin-1-ium-2-one Formula: C25H31Cl2N2O+ MolecularWeight: 446.43244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC[N+](C1=O)(CCN2CCCC2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCC1(CCC[N+](C1=O)(CCN2CCCC2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H31Cl2N2O/c1-2-25(20-11-12-22(26)23(27)19-20)13-8-17-29(24(25)30,21-9-4-3-5-10-21)18-16-28-14-6-7-15-28/h3-5,9-12,19H,2,6-8,13-18H2,1H3/q+1