4-[5-[(2S)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[5-[(2S)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonylpiperazin-2-one Openeye Name: 4-[5-[(2S)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazin-2-one CAS Name: 4-[[5-[(2S)-1-[(3-ethyl-4-imidazolyl)methyl]-2-pyrrolidin-1-iumyl]-2-thiophenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[5-[(2S)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazin-2-one Traditional Name: 4-[5-[(2S)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazin-2-one Formula: C19H26N5O2S+ MolecularWeight: 388.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC=C1C[NH+]2CCCC2C3=CC=C(S3)C(=O)N4CCNC(=O)C4

Isomeric SMILES

CCN1C=NC=C1C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C19H25N5O2S/c1-2-22-13-20-10-14(22)11-23-8-3-4-15(23)16-5-6-17(27-16)19(26)24-9-7-21-18(25)12-24/h5-6,10,13,15H,2-4,7-9,11-12H2,1H3,(H,21,25)/p+1/t15-/m0/s1