3-(nonylcarbamothioylamino)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(nonylcarbamothioylamino)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(nonylcarbamothioylamino)-4-(trimethylammonio)butanoate CAS Name: 3-[[(nonylamino)-sulfanylidenemethyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: 3-(nonylcarbamothioylamino)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(nonylthiocarbamoylamino)-4-(trimethylammonio)butyrate Formula: C17H35N3O2S MolecularWeight: 345.5437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC(=S)NC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCNC(=S)NC(CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C17H35N3O2S/c1-5-6-7-8-9-10-11-12-18-17(23)19-15(13-16(21)22)14-20(2,3)4/h15H,5-14H2,1-4H3,(H2-,18,19,21,22,23)