N-(2-chloranyl-4-nitro-phenyl)-1-(phenylmethyl)piperidin-1-ium-4-amine

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-1-(phenylmethyl)piperidin-1-ium-4-amine Openeye Name: 1-benzyl-N-(2-chloro-4-nitro-phenyl)piperidin-1-ium-4-amine CAS Name: N-(2-chloro-4-nitrophenyl)-1-(phenylmethyl)-4-piperidin-1-iumamine IUPAC Name: 1-benzyl-N-(2-chloro-4-nitrophenyl)piperidin-1-ium-4-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(2-chloro-4-nitro-phenyl)amine Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O2/c19-17-12-16(22(23)24)6-7-18(17)20-15-8-10-21(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,20H,8-11,13H2/p+1