[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl]-ethyl-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: [2-(cyclopropylcarbamoylamino)-2-keto-ethyl]-ethyl-[3-methoxy-4-(2-thenyloxy)benzyl]ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)CC(=O)NC(=O)NC3CC3

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)CC(=O)NC(=O)NC3CC3

InChI

InChI=1S/C21H27N3O4S/c1-3-24(13-20(25)23-21(26)22-16-7-8-16)12-15-6-9-18(19(11-15)27-2)28-14-17-5-4-10-29-17/h4-6,9-11,16H,3,7-8,12-14H2,1-2H3,(H2,22,23,25,26)/p+1