(E)-3-(1-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C21H26N4O/c1-16-15-18(17(2)25(16)20-4-5-20)3-6-21(26)24-13-11-23(12-14-24)19-7-9-22-10-8-19/h3,6-10,15,20H,4-5,11-14H2,1-2H3/p+1/b6-3+