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

Systemtic Name: 2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-5-nitro-benzonitrile CAS Name: 2-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]amino]-5-nitro-benzonitrile Formula: C19H20ClN4O2+ MolecularWeight: 371.8407

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O2/c20-16-3-1-14(2-4-16)13-23-9-7-17(8-10-23)22-19-6-5-18(24(25)26)11-15(19)12-21/h1-6,11,17,22H,7-10,13H2/p+1