N-cyclopropyl-2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-benzamide

Systemtic Name: N-cyclopropyl-2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-benzamide Openeye Name: N-cyclopropyl-2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxy-benzamide CAS Name: N-cyclopropyl-2-[[1-[(4-ethynylphenyl)methyl]-4-piperidin-1-iumyl]oxy]-4-methoxybenzamide IUPAC Name: N-cyclopropyl-2-[1-[(4-ethynylphenyl)methyl]piperidin-1-ium-4-yl]oxy-4-methoxybenzamide Traditional Name: N-cyclopropyl-2-[1-(4-ethynylbenzyl)piperidin-1-ium-4-yl]oxy-4-methoxy-benzamide Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC2CC2)OC3CC[NH+](CC3)CC4=CC=C(C=C4)C#C

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC2CC2)OC3CC[NH+](CC3)CC4=CC=C(C=C4)C#C

InChI

InChI=1S/C25H28N2O3/c1-3-18-4-6-19(7-5-18)17-27-14-12-21(13-15-27)30-24-16-22(29-2)10-11-23(24)25(28)26-20-8-9-20/h1,4-7,10-11,16,20-21H,8-9,12-15,17H2,2H3,(H,26,28)/p+1