N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-[(phenylmethyl)carbamoylamino]ethanamide

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-[(phenylmethyl)carbamoylamino]ethanamide Openeye Name: 2-(benzylcarbamoylamino)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acetamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-[[oxo-[(phenylmethyl)amino]methyl]amino]acetamide IUPAC Name: 2-(benzylcarbamoylamino)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(benzylcarbamoylamino)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acetamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)CNC(=O)NCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)CNC(=O)NCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H26N4O3S/c25-19(15-23-20(26)22-13-16-5-2-1-3-6-16)21-14-17(18-7-4-12-28-18)24-8-10-27-11-9-24/h1-7,12,17H,8-11,13-15H2,(H,21,25)(H2,22,23,26)/p+1/t17-/m0/s1