N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H32N4O2/c28-22(12-14-27-17-24-21-11-5-4-10-20(21)23(27)29)25-19-9-6-13-26(16-19)15-18-7-2-1-3-8-18/h4-5,10-11,17-19H,1-3,6-9,12-16H2,(H,25,28)/p+1/t19-/m0/s1