(E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C=CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)/C=C/C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C23H26N4O2/c1-18-16-20(19(2)27(18)17-22-4-3-15-29-22)5-6-23(28)26-13-11-25(12-14-26)21-7-9-24-10-8-21/h3-10,15-16H,11-14,17H2,1-2H3/p+1/b6-5+