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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,5-dimethoxy-benzamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3,5-dimethoxybenzamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,5-dimethoxybenzamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3,5-dimethoxy-benzamide Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O3/c1-25-19-12-16(13-20(14-19)26-2)21(24)22-17-8-7-11-23(15-17)18-9-5-3-4-6-10-18/h12-14,17-18H,3-11,15H2,1-2H3,(H,22,24)/p+1/t17-/m0/s1