4-(azepan-1-ium-1-yl)-2-phenyl-quinazoline

Systemtic Name: 4-(azepan-1-ium-1-yl)-2-phenyl-quinazoline Openeye Name: 4-(azepan-1-ium-1-yl)-2-phenyl-quinazoline CAS Name: 4-(1-azepan-1-iumyl)-2-phenylquinazoline IUPAC Name: 4-(azepan-1-ium-1-yl)-2-phenylquinazoline Traditional Name: 4-(azepan-1-ium-1-yl)-2-phenyl-quinazoline Formula: C20H22N3+ MolecularWeight: 304.40878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3/c1-2-9-15-23(14-8-1)20-17-12-6-7-13-18(17)21-19(22-20)16-10-4-3-5-11-16/h3-7,10-13H,1-2,8-9,14-15H2/p+1