(3S)-1-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]nipecotate Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCCC(C4)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCC[C@@H](C4)C(=O)[O-]

InChI

InChI=1S/C19H24N4O2/c24-19(25)14-6-5-11-23(12-14)18-15-7-1-2-8-16(15)20-17(21-18)13-22-9-3-4-10-22/h1-2,7-8,14H,3-6,9-13H2,(H,24,25)/t14-/m0/s1