(2S)-N-[(Z)-(2-chloranyl-7-methyl-quinolin-3-yl)methylideneamino]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[(Z)-(2-chloranyl-7-methyl-quinolin-3-yl)methylideneamino]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[(Z)-(2-chloro-7-methyl-3-quinolyl)methyleneamino]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[(Z)-(2-chloro-7-methyl-3-quinolinyl)methylideneamino]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[(Z)-(2-chloro-7-methyl-3-quinolyl)methyleneamino]pyrrolidin-1-ium-2-carboxamide Formula: C16H18ClN4O+ MolecularWeight: 317.79332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)C3CCC[NH2+]3)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=N\NC(=O)[C@@H]3CCC[NH2+]3)Cl

InChI

InChI=1S/C16H17ClN4O/c1-10-4-5-11-8-12(15(17)20-14(11)7-10)9-19-21-16(22)13-3-2-6-18-13/h4-5,7-9,13,18H,2-3,6H2,1H3,(H,21,22)/p+1/b19-9-/t13-/m0/s1