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

Systemtic Name: (2S)-1-(1-ethylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(1-ethylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(1-ethyl-4-piperidin-1-iumyl)-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(1-ethylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(1-ethylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-2-24-14-9-18(10-15-24)25-12-4-8-20(25)21(27)23-17-6-3-7-19(16-17)26-13-5-11-22-26/h3,5-7,11,13,16,18,20H,2,4,8-10,12,14-15H2,1H3,(H,23,27)/p+1/t20-/m0/s1