3-butyl-2-methyl-1-(phenylmethyl)quinazolin-3-ium-4-one perchlorate

Systemtic Name: 3-butyl-2-methyl-1-(phenylmethyl)quinazolin-3-ium-4-one perchlorate Openeye Name: 1-benzyl-3-butyl-2-methyl-quinazolin-3-ium-4-one perchlorate CAS Name: 3-butyl-2-methyl-1-(phenylmethyl)-4-quinazolin-3-iumone perchlorate IUPAC Name: 1-benzyl-3-butyl-2-methylquinazolin-3-ium-4-one perchlorate Traditional Name: 1-benzyl-3-butyl-2-methyl-quinazolin-3-ium-4-one perchlorate Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(N(C2=CC=CC=C2C1=O)CC3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC[N+]1=C(N(C2=CC=CC=C2C1=O)CC3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H23N2O.ClHO4/c1-3-4-14-21-16(2)22(15-17-10-6-5-7-11-17)19-13-9-8-12-18(19)20(21)23;2-1(3,4)5/h5-13H,3-4,14-15H2,1-2H3;(H,2,3,4,5)/q+1;/p-1