N-[3-[[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]-oxomethyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C22H28N4O3S/c27-21(17-6-7-17)25-18-4-1-3-16(13-18)14-23-22(28)24-15-19(20-5-2-12-30-20)26-8-10-29-11-9-26/h1-5,12-13,17,19H,6-11,14-15H2,(H,25,27)(H2,23,24,28)/p+1/t19-/m0/s1