1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[(2-chloro-5-nitro-phenyl)methyl]piperidin-1-ium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[(2-chloro-5-nitrophenyl)methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-(2-chloro-5-nitro-benzyl)piperidin-1-ium Formula: C19H22ClN2O2+ MolecularWeight: 345.84318

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN2O2/c20-19-7-6-18(22(23)24)13-17(19)14-21-10-8-16(9-11-21)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2/p+1