2-ethoxy-1-[(2S)-2-[5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]thiophen-2-yl]pyrrolidin-1-yl]ethanone

Systemtic Name: 2-ethoxy-1-[(2S)-2-[5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]thiophen-2-yl]pyrrolidin-1-yl]ethanone Openeye Name: 2-ethoxy-1-[(2S)-2-[5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-2-thienyl]pyrrolidin-1-yl]ethanone CAS Name: 2-ethoxy-1-[(2S)-2-[5-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-2-thiophenyl]-1-pyrrolidinyl]ethanone IUPAC Name: 2-ethoxy-1-[(2S)-2-[5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]ethanone Traditional Name: 2-ethoxy-1-[(2S)-2-[5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-2-thienyl]pyrrolidino]ethanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)N1CCCC1C2=CC=C(S2)C(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CCOCC(=O)N1CCC[C@H]1C2=CC=C(S2)C(=O)N3CCC[NH+](CC3)C

InChI

InChI=1S/C19H29N3O3S/c1-3-25-14-18(23)22-11-4-6-15(22)16-7-8-17(26-16)19(24)21-10-5-9-20(2)12-13-21/h7-8,15H,3-6,9-14H2,1-2H3/p+1/t15-/m0/s1