azepan-1-yl-[(3R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-1-[(2,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-1-(2,4,5-trimethoxybenzyl)piperidin-1-ium-3-yl]methanone Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCCC(C2)C(=O)N3CCCCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCC[C@H](C2)C(=O)N3CCCCCC3)OC)OC

InChI

InChI=1S/C22H34N2O4/c1-26-19-14-21(28-3)20(27-2)13-18(19)16-23-10-8-9-17(15-23)22(25)24-11-6-4-5-7-12-24/h13-14,17H,4-12,15-16H2,1-3H3/p+1/t17-/m1/s1