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

Systemtic Name: 3-(3,4-dichlorophenyl)-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one Openeye Name: 3-(3,4-dichlorophenyl)-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one CAS Name: 3-(3,4-dichlorophenyl)-1-phenyl-1-[2-(1-pyrrolidinyl)ethyl]-2-piperidin-1-iumone IUPAC Name: 3-(3,4-dichlorophenyl)-1-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-1-ium-2-one Traditional Name: 3-(3,4-dichlorophenyl)-1-phenyl-1-(2-pyrrolidinoethyl)piperidin-1-ium-2-one Formula: C23H27Cl2N2O+ MolecularWeight: 418.37928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC[N+]2(CCCC(C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC[N+]2(CCCC(C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H27Cl2N2O/c24-21-11-10-18(17-22(21)25)20-9-6-15-27(23(20)28,19-7-2-1-3-8-19)16-14-26-12-4-5-13-26/h1-3,7-8,10-11,17,20H,4-6,9,12-16H2/q+1