carboxy-(2-cyclopentylphenyl)-methoxycarbonylsulfanyl-methyl-azanium

Systemtic Name: carboxy-(2-cyclopentylphenyl)-methoxycarbonylsulfanyl-methyl-azanium Openeye Name: carboxy-(2-cyclopentylphenyl)-methoxycarbonylsulfanyl-methyl-ammonium CAS Name: carboxy-(2-cyclopentylphenyl)-(methoxycarbonylthio)-methylammonium IUPAC Name: carboxy-(2-cyclopentylphenyl)-methoxycarbonylsulfanyl-methylazanium Traditional Name: (carbomethoxythio)-carboxy-(2-cyclopentylphenyl)-methyl-ammonium Formula: C15H20NO4S+ MolecularWeight: 310.3886

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC=CC=C1C2CCCC2)(C(=O)O)SC(=O)OC

Isomeric SMILES

C[N+](C1=CC=CC=C1C2CCCC2)(C(=O)O)SC(=O)OC

InChI

InChI=1S/C15H19NO4S/c1-16(14(17)18,21-15(19)20-2)13-10-6-5-9-12(13)11-7-3-4-8-11/h5-6,9-11H,3-4,7-8H2,1-2H3/p+1