N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(1H-imidazol-2-yl)benzamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(1H-imidazol-2-yl)benzamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(1H-imidazol-2-yl)benzamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-2-(1H-imidazol-2-yl)benzamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(1H-imidazol-2-yl)benzamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(1H-imidazol-2-yl)benzamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NC(=O)C3=CC=CC=C3C4=NC=CN4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=CC=C3C4=NC=CN4

InChI

InChI=1S/C22H30N4O/c27-22(20-11-5-4-10-19(20)21-23-12-13-24-21)25-18-9-6-14-26(16-18)15-17-7-2-1-3-8-17/h4-5,10-13,17-18H,1-3,6-9,14-16H2,(H,23,24)(H,25,27)/p+1/t18-/m0/s1