5-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-phenyl-1H-imidazole-4-carboxamide

Systemtic Name: 5-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-phenyl-1H-imidazole-4-carboxamide Openeye Name: 5-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-phenyl-1H-imidazole-4-carboxamide CAS Name: 5-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-phenyl-1H-imidazole-4-carboxamide IUPAC Name: 5-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-phenyl-1H-imidazole-4-carboxamide Traditional Name: 5-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-phenyl-1H-imidazole-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)NC3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)N[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-18-22(27-23(25-18)20-11-6-3-7-12-20)24(29)26-21-13-8-15-28(17-21)16-14-19-9-4-2-5-10-19/h2-7,9-12,21H,8,13-17H2,1H3,(H,25,27)(H,26,29)/p+1/t21-/m0/s1