(2S)-N-[(E)-quinolin-6-ylmethylideneamino]pyrrolidin-1-ium-2-carboxamide chloride hydrochloride

Systemtic Name: (2S)-N-[(E)-quinolin-6-ylmethylideneamino]pyrrolidin-1-ium-2-carboxamide chloride hydrochloride Openeye Name: (2S)-N-[(E)-6-quinolylmethyleneamino]pyrrolidin-1-ium-2-carboxamide chloride hydrochloride CAS Name: (2S)-N-[(E)-6-quinolinylmethylideneamino]-2-pyrrolidin-1-iumcarboxamide chloride hydrochloride IUPAC Name: (2S)-N-[(E)-quinolin-6-ylmethylideneamino]pyrrolidin-1-ium-2-carboxamide chloride hydrochloride Traditional Name: (2S)-N-[(E)-6-quinolylmethyleneamino]pyrrolidin-1-ium-2-carboxamide chloride hydrochloride Formula: C15H18Cl2N4O MolecularWeight: 341.23562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NN=CC2=CC3=C(C=C2)N=CC=C3.Cl.[Cl-]

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N/N=C/C2=CC3=C(C=C2)N=CC=C3.Cl.[Cl-]

InChI

InChI=1S/C15H16N4O.2ClH/c20-15(14-4-2-8-17-14)19-18-10-11-5-6-13-12(9-11)3-1-7-16-13;;/h1,3,5-7,9-10,14,17H,2,4,8H2,(H,19,20);2*1H/b18-10+;;/t14-;;/m0../s1