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

Systemtic Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H32N4O2/c1-17-15-19(18(2)26(17)20-6-7-20)5-8-21(27)25-13-11-23(12-14-25)16-22(28)24-9-3-4-10-24/h5,8,15,20H,3-4,6-7,9-14,16H2,1-2H3/p+1/b8-5+