dimethyl-(oxan-4-yl)-[[4-[[(E)-3-[5-(4-propan-2-ylphenyl)thiophen-2-yl]prop-2-enoyl]amino]phenyl]methyl]azanium

Systemtic Name: dimethyl-(oxan-4-yl)-[[4-[[(E)-3-[5-(4-propan-2-ylphenyl)thiophen-2-yl]prop-2-enoyl]amino]phenyl]methyl]azanium Openeye Name: [4-[[(E)-3-[5-(4-isopropylphenyl)-2-thienyl]prop-2-enoyl]amino]phenyl]methyl-dimethyl-tetrahydropyran-4-yl-ammonium CAS Name: dimethyl-(4-oxanyl)-[[4-[[(E)-1-oxo-3-[5-(4-propan-2-ylphenyl)-2-thiophenyl]prop-2-enyl]amino]phenyl]methyl]ammonium IUPAC Name: dimethyl-(oxan-4-yl)-[[4-[[(E)-3-[5-(4-propan-2-ylphenyl)thiophen-2-yl]prop-2-enoyl]amino]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[(E)-3-(5-p-cumenyl-2-thienyl)acryloyl]amino]benzyl]-tetrahydropyran-4-yl-ammonium Formula: C30H37N2O2S+ MolecularWeight: 489.69198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CC=C(S2)C=CC(=O)NC3=CC=C(C=C3)C[N+](C)(C)C4CCOCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CC=C(S2)/C=C/C(=O)NC3=CC=C(C=C3)C[N+](C)(C)C4CCOCC4

InChI

InChI=1S/C30H36N2O2S/c1-22(2)24-7-9-25(10-8-24)29-15-13-28(35-29)14-16-30(33)31-26-11-5-23(6-12-26)21-32(3,4)27-17-19-34-20-18-27/h5-16,22,27H,17-21H2,1-4H3/p+1/b16-14+