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(2-acetamido-7-chloranyl-3-methoxycarbonyl-1-benzothiophen-6-yl)methyl-(4-oxidanylbutyl)azanium

(2-acetamido-7-chloranyl-3-methoxycarbonyl-1-benzothiophen-6-yl)methyl-(4-oxidanylbutyl)azanium

Systemtic Name:(2-acetamido-7-chloranyl-3-methoxycarbonyl-1-benzothiophen-6-yl)methyl-(4-oxidanylbutyl)azanium
Openeye Name:(2-acetamido-7-chloro-3-methoxycarbonyl-benzothiophen-6-yl)methyl-(4-hydroxybutyl)ammonium
CAS Name:(2-acetamido-7-chloro-3-methoxycarbonyl-1-benzothiophen-6-yl)methyl-(4-hydroxybutyl)ammonium
IUPAC Name:(2-acetamido-7-chloro-3-methoxycarbonyl-1-benzothiophen-6-yl)methyl-(4-hydroxybutyl)azanium
Traditional Name:(2-acetamido-3-carbomethoxy-7-chloro-benzothiophen-6-yl)methyl-(4-hydroxybutyl)ammonium
Formula: C17H22ClN2O4S+
MolecularWeight: 385.88558
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)C(=C(C=C2)C[NH2+]CCCCO)Cl)C(=O)OC


Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)C(=C(C=C2)C[NH2+]CCCCO)Cl)C(=O)OC


InChI

InChI=1S/C17H21ClN2O4S/c1-10(22)20-16-13(17(23)24-2)12-6-5-11(14(18)15(12)25-16)9-19-7-3-4-8-21/h5-6,19,21H,3-4,7-9H2,1-2H3,(H,20,22)/p+1


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