3,6-dinitro-9-(2-piperidin-1-ium-1-ylethyl)carbazole

Systemtic Name: 3,6-dinitro-9-(2-piperidin-1-ium-1-ylethyl)carbazole Openeye Name: 3,6-dinitro-9-(2-piperidin-1-ium-1-ylethyl)carbazole CAS Name: 3,6-dinitro-9-[2-(1-piperidin-1-iumyl)ethyl]carbazole IUPAC Name: 3,6-dinitro-9-(2-piperidin-1-ium-1-ylethyl)carbazole Traditional Name: 3,6-dinitro-9-(2-piperidin-1-ium-1-ylethyl)carbazole Formula: C19H21N4O4+ MolecularWeight: 369.39444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C4=C2C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C4=C2C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4/c24-22(25)14-4-6-18-16(12-14)17-13-15(23(26)27)5-7-19(17)21(18)11-10-20-8-2-1-3-9-20/h4-7,12-13H,1-3,8-11H2/p+1