[4-methoxy-2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methoxy-2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methoxy-2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-2-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidino-methanone Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CN=C(N=C4)SC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CN=C(N=C4)SC

InChI

InChI=1S/C23H30N4O3S/c1-29-19-5-6-20(22(28)27-9-3-4-10-27)21(13-19)30-18-7-11-26(12-8-18)16-17-14-24-23(31-2)25-15-17/h5-6,13-15,18H,3-4,7-12,16H2,1-2H3/p+1