2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-quinazoline CAS Name: 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-quinazoline Formula: C30H35N4O4+ MolecularWeight: 515.6233

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=C(N=C2N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)OC

InChI

InChI=1S/C30H34N4O4/c1-5-38-28-19-24-23(18-27(28)37-4)30(32-29(31-24)22-11-12-25(35-2)26(17-22)36-3)34-15-13-33(14-16-34)20-21-9-7-6-8-10-21/h6-12,17-19H,5,13-16,20H2,1-4H3/p+1