N,N-dimethyl-2-[2-(phenylsulfanylmethyl)-1-propyl-indol-1-ium-1-yl]ethanamine

Systemtic Name: N,N-dimethyl-2-[2-(phenylsulfanylmethyl)-1-propyl-indol-1-ium-1-yl]ethanamine Openeye Name: N,N-dimethyl-2-[2-(phenylsulfanylmethyl)-1-propyl-indol-1-ium-1-yl]ethanamine CAS Name: N,N-dimethyl-2-[2-[(phenylthio)methyl]-1-propyl-1-indol-1-iumyl]ethanamine IUPAC Name: N,N-dimethyl-2-[2-(phenylsulfanylmethyl)-1-propylindol-1-ium-1-yl]ethanamine Traditional Name: dimethyl-[2-[2-[(phenylthio)methyl]-1-propyl-indol-1-ium-1-yl]ethyl]amine Formula: C22H29N2S+ MolecularWeight: 353.54406

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=CC=CC=C2C=C1CSC3=CC=CC=C3)CCN(C)C

Isomeric SMILES

CCC[N+]1(C2=CC=CC=C2C=C1CSC3=CC=CC=C3)CCN(C)C

InChI

InChI=1S/C22H29N2S/c1-4-15-24(16-14-23(2)3)20(17-19-10-8-9-13-22(19)24)18-25-21-11-6-5-7-12-21/h5-13,17H,4,14-16,18H2,1-3H3/q+1