4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]butanamide

Systemtic Name: 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]butanamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: 4-(8-methyl-4-oxo-3-quinazolinyl)-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]butanamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-19-8-5-12-22-24(19)26-18-29(25(22)31)15-7-13-23(30)27-21-11-6-14-28(17-21)16-20-9-3-2-4-10-20/h2-5,8-10,12,18,21H,6-7,11,13-17H2,1H3,(H,27,30)/p+1/t21-/m0/s1