2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C17H26N4O2S/c1-2-21-9-5-6-11(21)10-19-17(23)20-16-14(15(18)22)12-7-3-4-8-13(12)24-16/h11H,2-10H2,1H3,(H2,18,22)(H2,19,20,23)/p+1/t11-/m0/s1