azepan-1-yl-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[1-[(2-ethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[1-(2-ethoxybenzyl)piperidin-1-ium-3-yl]methanone Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H32N2O2/c1-2-25-20-12-6-5-10-18(20)16-22-13-9-11-19(17-22)21(24)23-14-7-3-4-8-15-23/h5-6,10,12,19H,2-4,7-9,11,13-17H2,1H3/p+1