azepan-1-yl-[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]methanone

Systemtic Name: azepan-1-yl-[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]methanone Openeye Name: azepan-1-yl-[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]methanone CAS Name: 1-azepanyl-[2-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]-5-methoxyphenyl]methanone IUPAC Name: azepan-1-yl-[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxyphenyl]methanone Traditional Name: azepan-1-yl-[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]methanone Formula: C24H37N2O3+ MolecularWeight: 401.56218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H36N2O3/c1-28-21-10-11-23(22(18-21)24(27)26-14-6-2-3-7-15-26)29-20-12-16-25(17-13-20)19-8-4-5-9-19/h10-11,18-20H,2-9,12-17H2,1H3/p+1