(E)-1-(4-ethoxyphenyl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-ethoxyphenyl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-ethoxyphenyl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]prop-2-en-1-one CAS Name: (E)-1-(4-ethoxyphenyl)-3-[1-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-indolyl]-2-propen-1-one IUPAC Name: (E)-1-(4-ethoxyphenyl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]prop-2-en-1-one Traditional Name: (E)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]-1-p-phenetyl-prop-2-en-1-one Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C=CC2=CN(C3=CC=CC=C32)CN4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)/C=C/C2=CN(C3=CC=CC=C32)CN4CC[NH+](CC4)C

InChI

InChI=1S/C25H29N3O2/c1-3-30-22-11-8-20(9-12-22)25(29)13-10-21-18-28(24-7-5-4-6-23(21)24)19-27-16-14-26(2)15-17-27/h4-13,18H,3,14-17,19H2,1-2H3/p+1/b13-10+