2-[5-azanyl-6-(phenylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-2-methyl-isoindol-2-ium-1,3-dione

Systemtic Name: 2-[5-azanyl-6-(phenylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-2-methyl-isoindol-2-ium-1,3-dione Openeye Name: 2-(1-amino-2-benzyl-tetralin-6-yl)-2-methyl-isoindolin-2-ium-1,3-dione CAS Name: 2-[5-amino-6-(phenylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-2-methylisoindol-2-ium-1,3-dione IUPAC Name: 2-(5-amino-6-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylisoindol-2-ium-1,3-dione Traditional Name: 2-(1-amino-2-benzyl-tetralin-6-yl)-2-methyl-isoindolin-2-ium-1,3-quinone Formula: C26H25N2O2+ MolecularWeight: 397.4889

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)C(C(CC4)CC5=CC=CC=C5)N

Isomeric SMILES

C[N+]1(C(=O)C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)C(C(CC4)CC5=CC=CC=C5)N

InChI

InChI=1S/C26H25N2O2/c1-28(25(29)22-9-5-6-10-23(22)26(28)30)20-13-14-21-18(16-20)11-12-19(24(21)27)15-17-7-3-2-4-8-17/h2-10,13-14,16,19,24H,11-12,15,27H2,1H3/q+1