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

Systemtic Name: [2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-[(4-ethynylphenyl)methyl]-4-piperidin-1-iumyl]oxy]-4-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-(4-ethynylbenzyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C26H31N2O3+ MolecularWeight: 419.53594

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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)C#C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3/c1-3-20-6-8-21(9-7-20)19-27-16-12-22(13-17-27)31-25-18-23(30-2)10-11-24(25)26(29)28-14-4-5-15-28/h1,6-11,18,22H,4-5,12-17,19H2,2H3/p+1