N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(3-methylphenyl)ethanamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(3-methylphenyl)ethanamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(m-tolyl)acetamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-2-(3-methylphenyl)acetamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(3-methylphenyl)acetamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(m-tolyl)acetamide Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)NC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C21H32N2O/c1-17-7-5-10-19(13-17)14-21(24)22-20-11-6-12-23(16-20)15-18-8-3-2-4-9-18/h5,7,10,13,18,20H,2-4,6,8-9,11-12,14-16H2,1H3,(H,22,24)/p+1/t20-/m0/s1