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

Systemtic Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(isoxazol-3-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(3-isoxazolylmethyl)-N-[4-(2-methyl-1-imidazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(isoxazol-3-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2/c1-15-21-9-11-25(15)19-6-4-17(5-7-19)22-20(26)16-3-2-10-24(13-16)14-18-8-12-27-23-18/h4-9,11-12,16H,2-3,10,13-14H2,1H3,(H,22,26)/p+1/t16-/m0/s1