(2-methoxypyrimidin-5-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]methanone

Systemtic Name: (2-methoxypyrimidin-5-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]methanone Openeye Name: (2-methoxypyrimidin-5-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]-1-piperidyl]methanone CAS Name: (2-methoxy-5-pyrimidinyl)-[4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (2-methoxypyrimidin-5-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]methanone Traditional Name: (2-methoxypyrimidin-5-yl)-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidino]methanone Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C(=O)N2CCC(CC2)C3CC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=N1)C(=O)N2CCC(CC2)[C@H]3CC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2/c1-29-23-24-15-21(16-25-23)22(28)27-13-9-19(10-14-27)20-8-12-26(17-20)11-7-18-5-3-2-4-6-18/h2-6,15-16,19-20H,7-14,17H2,1H3/p+1/t20-/m0/s1