2-[(1S)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-1H-quinazolin-4-one Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N5O/c1-14(18-21-16-7-3-2-6-15(16)19(25)22-18)23-10-12-24(13-11-23)17-8-4-5-9-20-17/h2-9,14H,10-13H2,1H3,(H,21,22,25)/p+1/t14-/m0/s1