7-chloranyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 7-chloranyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinazoline Openeye Name: 7-chloro-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinazoline CAS Name: 7-chloro-4-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]quinazoline IUPAC Name: 7-chloro-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinazoline Traditional Name: 7-chloro-4-(4-veratrylpiperazin-4-ium-1-yl)quinazoline Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl)OC

InChI

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