1,10,10-trimethyl-3-phenyl-2,7,8,9-tetrahydrobenzo[h]quinazolin-1-ium

Systemtic Name: 1,10,10-trimethyl-3-phenyl-2,7,8,9-tetrahydrobenzo[h]quinazolin-1-ium Openeye Name: 1,10,10-trimethyl-3-phenyl-2,7,8,9-tetrahydrobenzo[h]quinazolin-1-ium CAS Name: 1,10,10-trimethyl-3-phenyl-2,7,8,9-tetrahydrobenzo[h]quinazolin-1-ium IUPAC Name: 1,10,10-trimethyl-3-phenyl-2,7,8,9-tetrahydrobenzo[h]quinazolin-1-ium Traditional Name: 1,10,10-trimethyl-3-phenyl-2,7,8,9-tetrahydrobenzo[h]quinazolin-1-ium Formula: C21H25N2+ MolecularWeight: 305.4366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2=C1C3=[N+](CN(C=C3C=C2)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1(CCCC2=C1C3=[N+](CN(C=C3C=C2)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H25N2/c1-21(2)13-7-8-16-11-12-17-14-23(18-9-5-4-6-10-18)15-22(3)20(17)19(16)21/h4-6,9-12,14H,7-8,13,15H2,1-3H3/q+1