(2S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C22H33N5O+2 MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O/c1-17(2)25-14-9-19(10-15-25)26-12-4-8-21(26)22(28)24-18-6-3-7-20(16-18)27-13-5-11-23-27/h3,5-7,11,13,16-17,19,21H,4,8-10,12,14-15H2,1-2H3,(H,24,28)/p+2/t21-/m0/s1