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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCCCCC3)OC)OC

InChI

InChI=1S/C22H34N2O4/c1-26-19-11-10-17(20(27-2)21(19)28-3)15-23-12-8-9-18(16-23)22(25)24-13-6-4-5-7-14-24/h10-11,18H,4-9,12-16H2,1-3H3/p+1/t18-/m1/s1