(2S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(1-methyl-4-piperidin-1-iumyl)-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@H]2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C20H27N5O/c1-23-13-8-17(9-14-23)24-11-3-7-19(24)20(26)22-16-5-2-6-18(15-16)25-12-4-10-21-25/h2,4-6,10,12,15,17,19H,3,7-9,11,13-14H2,1H3,(H,22,26)/p+1/t19-/m0/s1