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

Systemtic Name: N-[(3-bromophenyl)-piperidin-1-ium-1-ylidene-methyl]-2-methyl-5-nitro-aniline Openeye Name: N-[(3-bromophenyl)-piperidin-1-ium-1-ylidene-methyl]-2-methyl-5-nitro-aniline CAS Name: N-[(3-bromophenyl)-(1-piperidin-1-iumylidene)methyl]-2-methyl-5-nitroaniline IUPAC Name: N-[(3-bromophenyl)-piperidin-1-ium-1-ylidenemethyl]-2-methyl-5-nitroaniline Traditional Name: [(3-bromophenyl)-piperidin-1-ium-1-ylidene-methyl]-(2-methyl-5-nitro-phenyl)amine Formula: C19H21BrN3O2+ MolecularWeight: 403.29294

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O2/c1-14-8-9-17(23(24)25)13-18(14)21-19(22-10-3-2-4-11-22)15-6-5-7-16(20)12-15/h5-9,12-13H,2-4,10-11H2,1H3/p+1