3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-3-prop-2-enyl-piperidin-2-one; methanesulfonic acid

Systemtic Name: 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-3-prop-2-enyl-piperidin-2-one; methanesulfonic acid Openeye Name: 3-allyl-3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)piperidin-2-one; methanesulfonic acid CAS Name: 3-(3,4-dichlorophenyl)-1-[1-phenyl-2-(1-pyrrolidinyl)ethyl]-3-prop-2-enyl-2-piperidinone; methanesulfonic acid IUPAC Name: 3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-prop-2-enylpiperidin-2-one; methanesulfonic acid Traditional Name: 3-allyl-3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidino-ethyl)-2-piperidone; mesylic acid Formula: C27H34Cl2N2O4S MolecularWeight: 553.54086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C=CCC1(CCCN(C1=O)C(CN2CCCC2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CS(=O)(=O)O.C=CCC1(CCCN(C1=O)C(CN2CCCC2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H30Cl2N2O.CH4O3S/c1-2-13-26(21-11-12-22(27)23(28)18-21)14-8-17-30(25(26)31)24(19-29-15-6-7-16-29)20-9-4-3-5-10-20;1-5(2,3)4/h2-5,9-12,18,24H,1,6-8,13-17,19H2;1H3,(H,2,3,4)