1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium CAS Name: 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[(E)-3-(2-nitrophenyl)allyl]piperidin-1-ium Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2/c24-23(25)21-11-5-4-9-20(21)10-6-14-22-15-12-19(13-16-22)17-18-7-2-1-3-8-18/h1-11,19H,12-17H2/p+1/b10-6+