N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-(4-methoxyphenyl)acetamide Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O2/c1-25-20-12-10-17(11-13-20)15-21(24)22-18-7-6-14-23(16-18)19-8-4-2-3-5-9-19/h10-13,18-19H,2-9,14-16H2,1H3,(H,22,24)/p+1/t18-/m0/s1