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

Systemtic Name: [4-methoxy-2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C27H35N2O4+ MolecularWeight: 451.5778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC=CC=C4OCC=C

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC=CC=C4OCC=C

InChI

InChI=1S/C27H34N2O4/c1-3-18-32-25-9-5-4-8-21(25)20-28-16-12-22(13-17-28)33-26-19-23(31-2)10-11-24(26)27(30)29-14-6-7-15-29/h3-5,8-11,19,22H,1,6-7,12-18,20H2,2H3/p+1