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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-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:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H32N4O2/c28-22(13-15-27-17-24-21-12-6-5-11-20(21)23(27)29)25-18-8-7-14-26(16-18)19-9-3-1-2-4-10-19/h5-6,11-12,17-19H,1-4,7-10,13-16H2,(H,25,28)/p+1/t18-/m0/s1