3-[1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[[2-(4-chlorophenyl)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C23H30ClN4O+ MolecularWeight: 413.9635

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CC[NH+](CC2)CC3=CN=C(N=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CCC2CC[NH+](CC2)CC3=CN=C(N=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H29ClN4O/c24-21-6-4-20(5-7-21)23-25-15-19(16-26-23)17-27-13-9-18(10-14-27)3-8-22(29)28-11-1-2-12-28/h4-7,15-16,18H,1-3,8-14,17H2/p+1