(E)-3-[1-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propyl]indol-3-yl]-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[1-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propyl]indol-3-yl]-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-[1-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]indol-3-yl]-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[1-[(2S)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propyl]-3-indolyl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-[1-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-[1-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]indol-3-yl]-1-(2-thienyl)prop-2-en-1-one Formula: C23H28N3O2S+ MolecularWeight: 410.55232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=CC(=O)C4=CC=CS4)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](CN2C=C(C3=CC=CC=C32)/C=C/C(=O)C4=CC=CS4)O

InChI

InChI=1S/C23H27N3O2S/c1-24-10-12-25(13-11-24)16-19(27)17-26-15-18(20-5-2-3-6-21(20)26)8-9-22(28)23-7-4-14-29-23/h2-9,14-15,19,27H,10-13,16-17H2,1H3/p+1/b9-8+/t19-/m0/s1