N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide

Systemtic Name: N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide Openeye Name: N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide CAS Name: N-[(2-phenyl-3-pyrazolyl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]cycloheptanecarboxamide IUPAC Name: N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide Traditional Name: N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)N(CC[NH+]2CCCC2)CC3=CC=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)C(=O)N(CC[NH+]2CCCC2)CC3=CC=NN3C4=CC=CC=C4

InChI

InChI=1S/C24H34N4O/c29-24(21-10-4-1-2-5-11-21)27(19-18-26-16-8-9-17-26)20-23-14-15-25-28(23)22-12-6-3-7-13-22/h3,6-7,12-15,21H,1-2,4-5,8-11,16-20H2/p+1