4-nitro-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c25-20-17-7-4-8-18(24(27)28)19(17)21(26)23(20)14-22-11-9-16(10-12-22)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2/p+1