N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]cycloheptanecarboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cycloheptanecarboxamide Formula: C20H35N4O+ MolecularWeight: 347.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(CC[NH+]2CCCC2)C(=O)C3CCCCCC3)C

Isomeric SMILES

CC1=NN(C(=C1)CN(CC[NH+]2CCCC2)C(=O)C3CCCCCC3)C

InChI

InChI=1S/C20H34N4O/c1-17-15-19(22(2)21-17)16-24(14-13-23-11-7-8-12-23)20(25)18-9-5-3-4-6-10-18/h15,18H,3-14,16H2,1-2H3/p+1