4-(3-methylpiperidin-1-ium-1-yl)-2-(4-nitrophenyl)quinazoline chloride

Systemtic Name: 4-(3-methylpiperidin-1-ium-1-yl)-2-(4-nitrophenyl)quinazoline chloride Openeye Name: 4-(3-methylpiperidin-1-ium-1-yl)-2-(4-nitrophenyl)quinazoline chloride CAS Name: 4-(3-methyl-1-piperidin-1-iumyl)-2-(4-nitrophenyl)quinazoline chloride IUPAC Name: 4-(3-methylpiperidin-1-ium-1-yl)-2-(4-nitrophenyl)quinazoline chloride Traditional Name: 4-(3-methylpiperidin-1-ium-1-yl)-2-(4-nitrophenyl)quinazoline chloride Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1CCC[NH+](C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H20N4O2.ClH/c1-14-5-4-12-23(13-14)20-17-6-2-3-7-18(17)21-19(22-20)15-8-10-16(11-9-15)24(25)26;/h2-3,6-11,14H,4-5,12-13H2,1H3;1H