6,7-dimethoxy-2-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]quinazoline

Systemtic Name: 6,7-dimethoxy-2-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]quinazoline Openeye Name: 6,7-dimethoxy-2-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]quinazoline CAS Name: 6,7-dimethoxy-2-phenyl-4-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]quinazoline IUPAC Name: 6,7-dimethoxy-2-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]quinazoline Traditional Name: 6,7-dimethoxy-2-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]quinazoline Formula: C26H34N5O2+ MolecularWeight: 448.58046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)CC[NH+]5CCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)CC[NH+]5CCCC5)OC

InChI

InChI=1S/C26H33N5O2/c1-32-23-18-21-22(19-24(23)33-2)27-25(20-8-4-3-5-9-20)28-26(21)31-16-14-30(15-17-31)13-12-29-10-6-7-11-29/h3-5,8-9,18-19H,6-7,10-17H2,1-2H3/p+1