azepan-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[1-[(3,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-3-yl]methanone Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H34N2O4/c1-26-19-13-17(14-20(27-2)21(19)28-3)15-23-10-8-9-18(16-23)22(25)24-11-6-4-5-7-12-24/h13-14,18H,4-12,15-16H2,1-3H3/p+1