2-methyl-5-nitro-N-[(3-nitrophenyl)-piperidin-1-ium-1-ylidene-methyl]aniline

Systemtic Name: 2-methyl-5-nitro-N-[(3-nitrophenyl)-piperidin-1-ium-1-ylidene-methyl]aniline Openeye Name: 2-methyl-5-nitro-N-[(3-nitrophenyl)-piperidin-1-ium-1-ylidene-methyl]aniline CAS Name: 2-methyl-5-nitro-N-[(3-nitrophenyl)-(1-piperidin-1-iumylidene)methyl]aniline IUPAC Name: 2-methyl-5-nitro-N-[(3-nitrophenyl)-piperidin-1-ium-1-ylidenemethyl]aniline Traditional Name: (2-methyl-5-nitro-phenyl)-[(3-nitrophenyl)-piperidin-1-ium-1-ylidene-methyl]amine Formula: C19H21N4O4+ MolecularWeight: 369.39444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=[N+]2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=[N+]2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4/c1-14-8-9-17(23(26)27)13-18(14)20-19(21-10-3-2-4-11-21)15-6-5-7-16(12-15)22(24)25/h5-9,12-13H,2-4,10-11H2,1H3/p+1