methyl-(1-methylpiperidin-1-ium-4-yl)-[(E)-3-(2-nitrophenyl)prop-2-enyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(E)-3-(2-nitrophenyl)prop-2-enyl]azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(E)-3-(2-nitrophenyl)allyl]ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[(E)-3-(2-nitrophenyl)prop-2-enyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(E)-3-(2-nitrophenyl)prop-2-enyl]azanium Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(E)-3-(2-nitrophenyl)allyl]ammonium Formula: C16H25N3O2+2 MolecularWeight: 291.3886

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)C/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O2/c1-17-12-9-15(10-13-17)18(2)11-5-7-14-6-3-4-8-16(14)19(20)21/h3-8,15H,9-13H2,1-2H3/p+2/b7-5+