N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-2,4-dimethyl-pyrimidine-5-carboxamide

Systemtic Name: N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-2,4-dimethyl-pyrimidine-5-carboxamide Openeye Name: N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-2,4-dimethyl-pyrimidine-5-carboxamide CAS Name: N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenylpropyl]-2,4-dimethyl-5-pyrimidinecarboxamide IUPAC Name: N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide Traditional Name: N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]-2,4-dimethyl-pyrimidine-5-carboxamide Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC(CC[N+]2=CNC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=NC(=NC=C1C(=O)N[C@H](CC[N+]2=CNC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H21N5O/c1-14-17(12-21-15(2)22-14)19(25)23-18(16-6-4-3-5-7-16)8-10-24-11-9-20-13-24/h3-7,9,11-13,18H,8,10H2,1-2H3,(H,23,25)/p+1/t18-/m1/s1