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

Systemtic Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-2-propenenitrile IUPAC Name: (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]acrylonitrile Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2/c1-17-13-19(18(2)28(17)21-5-6-21)14-20(15-24)23(30)27-11-9-25(10-12-27)16-22(29)26-7-3-4-8-26/h13-14,21H,3-12,16H2,1-2H3/p+1/b20-14+