4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-3-yl-quinazoline

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-3-yl-quinazoline Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(3-thienyl)quinazoline CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(3-thiophenyl)quinazoline IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-3-ylquinazoline Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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