ethyl-[(3S)-1-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-[2-(4-oxoquinazolin-3-yl)acetyl]-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-[2-(4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-[2-(4-ketoquinazolin-3-yl)acetyl]-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H27N5O2/c1-2-26(14-18-9-11-24-12-10-18)19-6-5-13-27(15-19)22(29)16-28-17-25-21-8-4-3-7-20(21)23(28)30/h3-4,7-12,17,19H,2,5-6,13-16H2,1H3/p+1/t19-/m0/s1