5-nitro-1-(piperidin-1-ium-1-ylmethyl)indole-2,3-dione

Systemtic Name: 5-nitro-1-(piperidin-1-ium-1-ylmethyl)indole-2,3-dione Openeye Name: 5-nitro-1-(piperidin-1-ium-1-ylmethyl)indoline-2,3-dione CAS Name: 5-nitro-1-(1-piperidin-1-iumylmethyl)indole-2,3-dione IUPAC Name: 5-nitro-1-(piperidin-1-ium-1-ylmethyl)indole-2,3-dione Traditional Name: 5-nitro-1-(piperidin-1-ium-1-ylmethyl)isatin Formula: C14H16N3O4+ MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O

InChI

InChI=1S/C14H15N3O4/c18-13-11-8-10(17(20)21)4-5-12(11)16(14(13)19)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2/p+1