(E)-3-[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[1-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-indolyl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]-1-(2-thienyl)prop-2-en-1-one Formula: C21H25N3OS+2 MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-22-10-12-23(13-11-22)16-24-15-17(18-5-2-3-6-19(18)24)8-9-20(25)21-7-4-14-26-21/h2-9,14-15H,10-13,16H2,1H3/p+2/b9-8+