(7S)-7-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-7-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-7-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-7-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-7-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-7-methyl-2-(4-pyridin-1-ium-2-ylpiperazino)-7,8-dihydro-6H-quinazolin-5-one Formula: C18H22N5O+ MolecularWeight: 324.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=NC(=NC=C2C(=O)C1)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H]1CC2=NC(=NC=C2C(=O)C1)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H21N5O/c1-13-10-15-14(16(24)11-13)12-20-18(21-15)23-8-6-22(7-9-23)17-4-2-3-5-19-17/h2-5,12-13H,6-11H2,1H3/p+1/t13-/m0/s1