3-chloranyl-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,6-dinitro-aniline

Systemtic Name: 3-chloranyl-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,6-dinitro-aniline Openeye Name: 3-chloro-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,6-dinitro-aniline CAS Name: 3-chloro-2-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-4,6-dinitroaniline IUPAC Name: 3-chloro-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,6-dinitroaniline Traditional Name: (3-chloro-2-methyl-4,6-dinitro-phenyl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C14H20ClN4O5+ MolecularWeight: 359.7854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])NCCC[NH+]2CCOCC2

Isomeric SMILES

CC1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])NCCC[NH+]2CCOCC2

InChI

InChI=1S/C14H19ClN4O5/c1-10-13(15)11(18(20)21)9-12(19(22)23)14(10)16-3-2-4-17-5-7-24-8-6-17/h9,16H,2-8H2,1H3/p+1