(1,1-dimethylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-phenyl-propanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-phenyl-propanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-phenyl-propanoate CAS Name: 2-(1-azepanyl)-2-phenylpropanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-phenylpropanoate Traditional Name: 2-(azepan-1-yl)-2-phenyl-propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)OC2CC[N+](CC2)(C)C)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)OC2CC[N+](CC2)(C)C)N3CCCCCC3

InChI

InChI=1S/C22H35N2O2/c1-22(19-11-7-6-8-12-19,23-15-9-4-5-10-16-23)21(25)26-20-13-17-24(2,3)18-14-20/h6-8,11-12,20H,4-5,9-10,13-18H2,1-3H3/q+1