4-[5-[(2S)-1-[(6-methylpyridin-2-yl)methyl]pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[5-[(2S)-1-[(6-methylpyridin-2-yl)methyl]pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonylpiperazin-2-one Openeye Name: 4-[5-[(2S)-1-[(6-methyl-2-pyridyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazin-2-one CAS Name: 4-[[5-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrrolidin-1-iumyl]-2-thiophenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[5-[(2S)-1-[(6-methylpyridin-2-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazin-2-one Traditional Name: 4-[5-[(2S)-1-[(6-methyl-2-pyridyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazin-2-one Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC2C3=CC=C(S3)C(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C20H24N4O2S/c1-14-4-2-5-15(22-14)12-23-10-3-6-16(23)17-7-8-18(27-17)20(26)24-11-9-21-19(25)13-24/h2,4-5,7-8,16H,3,6,9-13H2,1H3,(H,21,25)/p+1/t16-/m0/s1