2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-5-nitro-benzonitrile CAS Name: 2-[[4-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-5-nitrobenzonitrile Traditional Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)benzyl]amino]-5-nitro-benzonitrile Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H20N4O3/c20-12-17-11-18(23(24)25)5-6-19(17)21-13-15-1-3-16(4-2-15)14-22-7-9-26-10-8-22/h1-6,11,21H,7-10,13-14H2/p+1