N-[2,5-dimethoxy-4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]benzamide

Systemtic Name: N-[2,5-dimethoxy-4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]benzamide Openeye Name: N-[2,5-dimethoxy-4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]benzamide CAS Name: N-[2,5-dimethoxy-4-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-dimethoxy-4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]benzamide Traditional Name: N-[2,5-dimethoxy-4-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]phenyl]benzamide Formula: C28H30N5O3+ MolecularWeight: 484.5695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4)OC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4)OC)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3/c1-35-24-17-23(31-28(34)19-10-4-3-5-11-19)25(36-2)16-22(24)30-27-20-12-6-7-13-21(20)29-26(32-27)18-33-14-8-9-15-33/h3-7,10-13,16-17H,8-9,14-15,18H2,1-2H3,(H,31,34)(H,29,30,32)/p+1