ethyl 1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(4-chlorophenyl)-5-pyrimidinyl]methyl]-4-(cyclopropylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(N=C2)C3=CC=C(C=C3)Cl)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(N=C2)C3=CC=C(C=C3)Cl)CC4CC4

InChI

InChI=1S/C23H28ClN3O2/c1-2-29-22(28)23(13-17-3-4-17)9-11-27(12-10-23)16-18-14-25-21(26-15-18)19-5-7-20(24)8-6-19/h5-8,14-15,17H,2-4,9-13,16H2,1H3/p+1