(3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(2-methyl-1-imidazolyl)phenyl]-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CCCN4C=CC=N4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+](C3)CCCN4C=CC=N4

InChI

InChI=1S/C22H28N6O/c1-18-23-11-16-28(18)21-8-6-20(7-9-21)25-22(29)19-5-2-12-26(17-19)13-4-15-27-14-3-10-24-27/h3,6-11,14,16,19H,2,4-5,12-13,15,17H2,1H3,(H,25,29)/p+1/t19-/m0/s1