N,1-bis(2-methylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-4-amine

Systemtic Name: N,1-bis(2-methylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-4-amine Openeye Name: N,1-diisobutyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-4-amine CAS Name: N,1-bis(2-methylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-4-amine IUPAC Name: N,1-bis(2-methylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-4-amine Traditional Name: isobutyl-(1-isobutyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-4-yl)amine Formula: C22H32N3+ MolecularWeight: 338.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=[N+](C2=C1CCCC2)CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=NC(=[N+](C2=C1CCCC2)CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H31N3/c1-16(2)14-23-21-19-12-8-9-13-20(19)25(15-17(3)4)22(24-21)18-10-6-5-7-11-18/h5-7,10-11,16-17H,8-9,12-15H2,1-4H3/p+1