N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-benzamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-benzamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-benzamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenylbenzamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-phenylbenzamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-benzamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4)C

InChI

InChI=1S/C25H30N4O2/c1-20-18-22(27(2)26-20)19-29(13-12-28-14-16-31-17-15-28)25(30)24-11-7-6-10-23(24)21-8-4-3-5-9-21/h3-11,18H,12-17,19H2,1-2H3/p+1