2-(phenylmethyl)-N-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide

Systemtic Name: 2-(phenylmethyl)-N-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide Openeye Name: 2-benzyl-N-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide CAS Name: 2-(phenylmethyl)-N-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide IUPAC Name: 2-benzyl-N-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide Traditional Name: 2-benzyl-N-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)N3CC[NH+](CC3=N2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)N3CC[NH+](CC3=N2)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O/c1-15(2)22-21(26)17-8-9-19-18(12-17)23-20-14-24(10-11-25(19)20)13-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,22,26)/p+1