1-[(6-nitroindazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(6-nitroindazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-nitroindazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(6-nitro-1-indazolyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(6-nitroindazol-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-nitroindazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C20H21N5O3/c26-20(22-17-4-2-1-3-5-17)15-8-10-23(11-9-15)14-24-19-12-18(25(27)28)7-6-16(19)13-21-24/h1-7,12-13,15H,8-11,14H2,(H,22,26)/p+1