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

Systemtic Name: 5-nitro-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-nitro-indoline-2,3-dione CAS Name: 5-nitro-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-nitroindole-2,3-dione Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-nitro-isatin Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=O

InChI

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