(3R)-2-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=[N+](C=CN3)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)CC3=[N+](C=CN3)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H22N4O/c22-21(26)19-12-17-8-4-5-9-18(17)14-25(19)15-20-23-10-11-24(20)13-16-6-2-1-3-7-16/h1-11,19H,12-15H2,(H2,22,26)/p+1/t19-/m1/s1