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

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[[2-(4-methoxyphenyl)-5-pyrimidinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H32N3O3+ MolecularWeight: 410.52918

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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)OC)CC4CC4

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-3-30-23(28)24(14-18-4-5-18)10-12-27(13-11-24)17-19-15-25-22(26-16-19)20-6-8-21(29-2)9-7-20/h6-9,15-16,18H,3-5,10-14,17H2,1-2H3/p+1