3-azanyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-azanyl-N-(3-morpholin-4-ium-4-ylpropyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 3-amino-1-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide CAS Name: 3-amino-N-[3-(4-morpholin-4-iumyl)propyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 3-amino-1-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 3-amino-1-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CN(N=C2N)CC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CN(N=C2N)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N5O2/c19-17-16(14-23(21-17)13-15-5-2-1-3-6-15)18(24)20-7-4-8-22-9-11-25-12-10-22/h1-3,5-6,14H,4,7-13H2,(H2,19,21)(H,20,24)/p+1