[4-methoxy-2-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methoxy-2-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]oxy]-4-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-2-(1-vanillylpiperidin-1-ium-4-yl)oxy-phenyl]-pyrrolidino-methanone Formula: C25H33N2O5+ MolecularWeight: 441.53992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5/c1-30-20-6-7-21(25(29)27-11-3-4-12-27)23(16-20)32-19-9-13-26(14-10-19)17-18-5-8-22(28)24(15-18)31-2/h5-8,15-16,19,28H,3-4,9-14,17H2,1-2H3/p+1