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

Systemtic Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(4-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(2-methyl-1-imidazolyl)phenyl]-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(4-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CC4=CC=NC=C4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+](C3)CC4=CC=NC=C4

InChI

InChI=1S/C22H25N5O/c1-17-24-12-14-27(17)21-6-4-20(5-7-21)25-22(28)19-3-2-13-26(16-19)15-18-8-10-23-11-9-18/h4-12,14,19H,2-3,13,15-16H2,1H3,(H,25,28)/p+1/t19-/m0/s1