N-phenethyl-3-quinolin-1-ium-2-ylsulfanyl-propanamide

Systemtic Name: N-phenethyl-3-quinolin-1-ium-2-ylsulfanyl-propanamide Openeye Name: N-phenethyl-3-quinolin-1-ium-2-ylsulfanyl-propanamide CAS Name: N-phenethyl-3-(2-quinolin-1-iumylthio)propanamide IUPAC Name: N-phenethyl-3-quinolin-1-ium-2-ylsulfanylpropanamide Traditional Name: N-phenethyl-3-(quinolin-1-ium-2-ylthio)propionamide Formula: C20H21N2OS+ MolecularWeight: 337.45854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCSC2=[NH+]C3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCSC2=[NH+]C3=CC=CC=C3C=C2

InChI

InChI=1S/C20H20N2OS/c23-19(21-14-12-16-6-2-1-3-7-16)13-15-24-20-11-10-17-8-4-5-9-18(17)22-20/h1-11H,12-15H2,(H,21,23)/p+1