dimethyl-[(1S)-2-[(3-methylbenzo[g][1]benzofuran-2-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(3-methylbenzo[g][1]benzofuran-2-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(3-methylbenzo[g]benzofuran-2-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[(3-methyl-2-benzo[g]benzofuranyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(3-methylbenzo[g]benzofuran-2-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium Formula: C22H23N2O2S+ MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NCC(C4=CSC=C4)[NH+](C)C

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NC[C@H](C4=CSC=C4)[NH+](C)C

InChI

InChI=1S/C22H22N2O2S/c1-14-17-9-8-15-6-4-5-7-18(15)21(17)26-20(14)22(25)23-12-19(24(2)3)16-10-11-27-13-16/h4-11,13,19H,12H2,1-3H3,(H,23,25)/p+1/t19-/m1/s1