4-chloranyl-N-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-N-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyleneamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]methylideneamino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)benzylidene]amino]-1-methyl-pyrazole-3-carboxamide Formula: C18H23ClN5O3+ MolecularWeight: 392.85992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NN=CC2=CC(=C(C=C2)OC)C[NH+]3CCOCC3)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NN=CC2=CC(=C(C=C2)OC)C[NH+]3CCOCC3)Cl

InChI

InChI=1S/C18H22ClN5O3/c1-23-12-15(19)17(22-23)18(25)21-20-10-13-3-4-16(26-2)14(9-13)11-24-5-7-27-8-6-24/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,21,25)/p+1