N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,4,5-trimethoxy-benzamide Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C22H34N2O4/c1-26-19-13-16(14-20(27-2)21(19)28-3)22(25)23-17-9-8-12-24(15-17)18-10-6-4-5-7-11-18/h13-14,17-18H,4-12,15H2,1-3H3,(H,23,25)/p+1/t17-/m0/s1