dimethyl-[2-[[(E)-2-methyl-3-phenyl-prop-2-enyl]-(phenylmethyl)azaniumyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(E)-2-methyl-3-phenyl-prop-2-enyl]-(phenylmethyl)azaniumyl]ethyl]azanium Openeye Name: benzyl-[2-(dimethylammonio)ethyl]-[(E)-2-methyl-3-phenyl-allyl]ammonium CAS Name: dimethyl-[2-[[(E)-2-methyl-3-phenylprop-2-enyl]-(phenylmethyl)ammonio]ethyl]ammonium IUPAC Name: benzyl-[2-(dimethylazaniumyl)ethyl]-[(E)-2-methyl-3-phenylprop-2-enyl]azanium Traditional Name: benzyl-[2-(dimethylammonio)ethyl]-[(E)-2-methyl-3-phenyl-allyl]ammonium Formula: C21H30N2+2 MolecularWeight: 310.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+](CC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+](CC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H28N2/c1-19(16-20-10-6-4-7-11-20)17-23(15-14-22(2)3)18-21-12-8-5-9-13-21/h4-13,16H,14-15,17-18H2,1-3H3/p+2/b19-16+