[4-[(3,4-dimethoxyphenyl)methyl-methyl-amino]quinazolin-2-yl]methyl-(furan-2-ylmethyl)-prop-2-ynyl-azanium

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl-methyl-amino]quinazolin-2-yl]methyl-(furan-2-ylmethyl)-prop-2-ynyl-azanium Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl-methyl-amino]quinazolin-2-yl]methyl-(2-furylmethyl)-prop-2-ynyl-ammonium CAS Name: [4-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-quinazolinyl]methyl-(2-furanylmethyl)-prop-2-ynylammonium IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl-(furan-2-ylmethyl)-prop-2-ynylazanium Traditional Name: 2-furfuryl-[[4-[methyl(veratryl)amino]quinazolin-2-yl]methyl]-propargyl-ammonium Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C2=NC(=NC3=CC=CC=C32)C[NH+](CC#C)CC4=CC=CO4

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C2=NC(=NC3=CC=CC=C32)C[NH+](CC#C)CC4=CC=CO4

InChI

InChI=1S/C27H28N4O3/c1-5-14-31(18-21-9-8-15-34-21)19-26-28-23-11-7-6-10-22(23)27(29-26)30(2)17-20-12-13-24(32-3)25(16-20)33-4/h1,6-13,15-16H,14,17-19H2,2-4H3/p+1