4-[[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]methyl]benzoate

Systemtic Name: 4-[[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]methyl]benzoate Openeye Name: 4-[[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]methyl]benzoate CAS Name: 4-[[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]methyl]benzoate Traditional Name: 4-[[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]amino]methyl]benzoate Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H22N4O2/c26-21(27)16-9-7-15(8-10-16)13-22-20-17-5-1-2-6-18(17)23-19(24-20)14-25-11-3-4-12-25/h1-2,5-10H,3-4,11-14H2,(H,26,27)(H,22,23,24)