ethyl 1-[(4-azanyl-5-chloranyl-2-pent-3-yn-2-yloxy-phenyl)carbonylamino]-3-methoxy-piperidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-[(4-azanyl-5-chloranyl-2-pent-3-yn-2-yloxy-phenyl)carbonylamino]-3-methoxy-piperidin-1-ium-1-carboxylate Openeye Name: ethyl 1-[[4-amino-5-chloro-2-(1-methylbut-2-ynoxy)benzoyl]amino]-3-methoxy-piperidin-1-ium-1-carboxylate CAS Name: 1-[[(4-amino-5-chloro-2-pent-3-yn-2-yloxyphenyl)-oxomethyl]amino]-3-methoxy-1-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-amino-5-chloro-2-pent-3-yn-2-yloxybenzoyl)amino]-3-methoxypiperidin-1-ium-1-carboxylate Traditional Name: 1-[[4-amino-5-chloro-2-(1-methylbut-2-ynoxy)benzoyl]amino]-3-methoxy-piperidin-1-ium-1-carboxylic acid ethyl ester Formula: C21H29ClN3O5+ MolecularWeight: 438.92506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCCC(C1)OC)NC(=O)C2=CC(=C(C=C2OC(C)C#CC)N)Cl

Isomeric SMILES

CCOC(=O)[N+]1(CCCC(C1)OC)NC(=O)C2=CC(=C(C=C2OC(C)C#CC)N)Cl

InChI

InChI=1S/C21H28ClN3O5/c1-5-8-14(3)30-19-12-18(23)17(22)11-16(19)20(26)24-25(21(27)29-6-2)10-7-9-15(13-25)28-4/h11-12,14-15H,6-7,9-10,13H2,1-4H3,(H2-,23,24,26)/p+1