4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-yl-quinazoline

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-yl-quinazoline Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-thienyl)quinazoline CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-ylquinazoline IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-ylquinazoline Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-thienyl)quinazoline Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C18H20N4S/c1-21-9-5-10-22(12-11-21)18-14-6-2-3-7-15(14)19-17(20-18)16-8-4-13-23-16/h2-4,6-8,13H,5,9-12H2,1H3/p+1