ethyl 4-[(3S)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[[2-(4-methoxyphenyl)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C24H34N5O3+ MolecularWeight: 440.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CN=C(N=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CN=C(N=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H33N5O3/c1-3-32-24(30)29-13-11-28(12-14-29)21-5-4-10-27(18-21)17-19-15-25-23(26-16-19)20-6-8-22(31-2)9-7-20/h6-9,15-16,21H,3-5,10-14,17-18H2,1-2H3/p+1/t21-/m0/s1