2-chloranyl-6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 2-chloranyl-6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-6,7-dimethoxy-quinazoline CAS Name: 2-chloro-6,7-dimethoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-6,7-dimethoxyquinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-6,7-dimethoxy-quinazoline Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C21H23ClN4O2/c1-27-18-12-16-17(13-19(18)28-2)23-21(22)24-20(16)26-10-8-25(9-11-26)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3/p+1