N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C23H26N4O2/c1-26(16-21-24-20-8-4-3-7-19(20)22(28)25-21)23(29)18-11-9-17(10-12-18)15-27-13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,24,25,28)/p+1