5-nitro-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]benzenecarbonitrile Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]benzonitrile IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)amino]-5-nitro-benzonitrile Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2/c20-13-16-12-18(23(24)25)6-7-19(16)21-17-8-10-22(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,21H,8-11,14H2/p+1