(5-chloranylthiophen-2-yl)methyl-methyl-[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl]azanium Openeye Name: [3-(benzylcarbamoylamino)-3-oxo-propyl]-[(5-chloro-2-thienyl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-methyl-[3-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl]ammonium IUPAC Name: [3-(benzylcarbamoylamino)-3-oxopropyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium Traditional Name: [3-(benzylcarbamoylamino)-3-keto-propyl]-[(5-chloro-2-thienyl)methyl]-methyl-ammonium Formula: C17H21ClN3O2S+ MolecularWeight: 366.88554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC(=O)NCC1=CC=CC=C1)CC2=CC=C(S2)Cl

Isomeric SMILES

C[NH+](CCC(=O)NC(=O)NCC1=CC=CC=C1)CC2=CC=C(S2)Cl

InChI

InChI=1S/C17H20ClN3O2S/c1-21(12-14-7-8-15(18)24-14)10-9-16(22)20-17(23)19-11-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H2,19,20,22,23)/p+1