azepan-1-yl-[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]oxyphenyl]methanone

Systemtic Name: azepan-1-yl-[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]oxyphenyl]methanone Openeye Name: azepan-1-yl-[3-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]oxy]phenyl]methanone CAS Name: 1-azepanyl-[3-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]oxy]phenyl]methanone IUPAC Name: azepan-1-yl-[3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]oxyphenyl]methanone Traditional Name: azepan-1-yl-[3-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]oxy]phenyl]methanone Formula: C24H38N3O2+ MolecularWeight: 400.57742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCCCCC4

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H37N3O2/c1-25-15-9-21(10-16-25)26-17-11-22(12-18-26)29-23-8-6-7-20(19-23)24(28)27-13-4-2-3-5-14-27/h6-8,19,21-22H,2-5,9-18H2,1H3/p+1