N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2,3,4-trimethoxy-benzamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2,3,4-trimethoxy-benzamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2,3,4-trimethoxy-benzamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-2,3,4-trimethoxybenzamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2,3,4-trimethoxybenzamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2,3,4-trimethoxy-benzamide Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3)OC)OC

InChI

InChI=1S/C22H34N2O4/c1-26-19-13-12-18(20(27-2)21(19)28-3)22(25)23-16-9-8-14-24(15-16)17-10-6-4-5-7-11-17/h12-13,16-17H,4-11,14-15H2,1-3H3,(H,23,25)/p+1/t16-/m0/s1