[2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NC(=O)C=CC2=CC3=C(C=C2)OCO3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C4CCCCC4

InChI

InChI=1S/C24H28N2O3/c1-26(20-8-3-2-4-9-20)16-19-7-5-6-10-21(19)25-24(27)14-12-18-11-13-22-23(15-18)29-17-28-22/h5-7,10-15,20H,2-4,8-9,16-17H2,1H3,(H,25,27)/p+1/b14-12+