dimethyl-[[4-[[(E)-3-[5-(4-methylphenyl)thiophen-2-yl]prop-2-enoyl]amino]cyclohexyl]methyl]-(oxan-4-yl)azanium

Systemtic Name: dimethyl-[[4-[[(E)-3-[5-(4-methylphenyl)thiophen-2-yl]prop-2-enoyl]amino]cyclohexyl]methyl]-(oxan-4-yl)azanium Openeye Name: dimethyl-[[4-[[(E)-3-[5-(p-tolyl)-2-thienyl]prop-2-enoyl]amino]cyclohexyl]methyl]-tetrahydropyran-4-yl-ammonium CAS Name: dimethyl-[[4-[[(E)-3-[5-(4-methylphenyl)-2-thiophenyl]-1-oxoprop-2-enyl]amino]cyclohexyl]methyl]-(4-oxanyl)ammonium IUPAC Name: dimethyl-[[4-[[(E)-3-[5-(4-methylphenyl)thiophen-2-yl]prop-2-enoyl]amino]cyclohexyl]methyl]-(oxan-4-yl)azanium Traditional Name: dimethyl-[[4-[[(E)-3-[5-(p-tolyl)-2-thienyl]acryloyl]amino]cyclohexyl]methyl]-tetrahydropyran-4-yl-ammonium Formula: C28H39N2O2S+ MolecularWeight: 467.68646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(S2)C=CC(=O)NC3CCC(CC3)C[N+](C)(C)C4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(S2)/C=C/C(=O)NC3CCC(CC3)C[N+](C)(C)C4CCOCC4

InChI

InChI=1S/C28H38N2O2S/c1-21-4-8-23(9-5-21)27-14-12-26(33-27)13-15-28(31)29-24-10-6-22(7-11-24)20-30(2,3)25-16-18-32-19-17-25/h4-5,8-9,12-15,22,24-25H,6-7,10-11,16-20H2,1-3H3/p+1/b15-13+