2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(8-methyl-4-oxo-quinazolin-3-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(8-methyl-4-oxo-3-quinazolinyl)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(4-keto-8-methyl-quinazolin-3-yl)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]acetamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NCC3=C[NH+]=C(C=C3)N4CCCC4

InChI

InChI=1S/C21H23N5O2/c1-15-5-4-6-17-20(15)24-14-26(21(17)28)13-19(27)23-12-16-7-8-18(22-11-16)25-9-2-3-10-25/h4-8,11,14H,2-3,9-10,12-13H2,1H3,(H,23,27)/p+1