N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-ethanoyl-benzamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-ethanoyl-benzamide Openeye Name: 4-acetyl-N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]benzamide CAS Name: 4-acetyl-N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-acetyl-N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 4-acetyl-N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]benzamide Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2/c1-16(24)18-9-11-19(12-10-18)21(25)22-20-8-5-13-23(15-20)14-17-6-3-2-4-7-17/h9-12,17,20H,2-8,13-15H2,1H3,(H,22,25)/p+1/t20-/m0/s1