N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-benzamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-benzamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-benzamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-2-methylbenzamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methylbenzamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-benzamide Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C20H30N2O/c1-16-9-6-7-13-19(16)20(23)21-17-10-8-14-22(15-17)18-11-4-2-3-5-12-18/h6-7,9,13,17-18H,2-5,8,10-12,14-15H2,1H3,(H,21,23)/p+1/t17-/m0/s1