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

Systemtic Name: 2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(8-methyl-4-oxo-quinazolin-3-yl)acetamide CAS Name: 2-(8-methyl-4-oxo-3-quinazolinyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-keto-8-methyl-quinazolin-3-yl)acetamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c1-16-6-5-9-19-21(16)23-15-26(22(19)28)14-20(27)24-18-10-11-25(13-18)12-17-7-3-2-4-8-17/h2-9,15,18H,10-14H2,1H3,(H,24,27)/p+1/t18-/m0/s1