2-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-nitro-aniline

Systemtic Name: 2-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-nitro-aniline CAS Name: 2-chloro-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[(6-morpholinopyridin-1-ium-3-yl)methyl]amine Formula: C16H18ClN4O3+ MolecularWeight: 349.79212

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O3/c17-14-9-13(21(22)23)2-3-15(14)18-10-12-1-4-16(19-11-12)20-5-7-24-8-6-20/h1-4,9,11,18H,5-8,10H2/p+1