N-(2-morpholin-4-ium-4-ylethyl)-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-N-[(2-phenyl-3-pyrazolyl)methyl]cycloheptanecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-N-[(2-phenylpyrazol-3-yl)methyl]cycloheptanecarboxamide Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)N(CC[NH+]2CCOCC2)CC3=CC=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)C(=O)N(CC[NH+]2CCOCC2)CC3=CC=NN3C4=CC=CC=C4

InChI

InChI=1S/C24H34N4O2/c29-24(21-8-4-1-2-5-9-21)27(15-14-26-16-18-30-19-17-26)20-23-12-13-25-28(23)22-10-6-3-7-11-22/h3,6-7,10-13,21H,1-2,4-5,8-9,14-20H2/p+1