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

Systemtic Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H28N4O/c1-17-15-20(18(2)26(17)21-4-5-21)3-6-22(27)25-13-11-24(12-14-25)16-19-7-9-23-10-8-19/h3,6-10,15,21H,4-5,11-14,16H2,1-2H3/p+1/b6-3+