dimethyl-[(2S)-2-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[[(E)-3-(5-methyl-2-thienyl)prop-2-enoyl]amino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[(E)-3-(5-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2S)-2-[[(E)-3-(5-methyl-2-thienyl)acryloyl]amino]-2-phenyl-ethyl]ammonium Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2OS/c1-14-9-10-16(22-14)11-12-18(21)19-17(13-20(2)3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,19,21)/p+1/b12-11+/t17-/m1/s1