carbamimidoyl-cyano-methyl-[2-[(3E,5E)-1-oxidanylpentadeca-3,5-dien-2-yl]sulfanylethyl]azanium

Systemtic Name: carbamimidoyl-cyano-methyl-[2-[(3E,5E)-1-oxidanylpentadeca-3,5-dien-2-yl]sulfanylethyl]azanium Openeye Name: carbamimidoyl-cyano-[2-[(2E,4E)-1-(hydroxymethyl)tetradeca-2,4-dienyl]sulfanylethyl]-methyl-ammonium CAS Name: carbamimidoyl-cyano-[2-[[(3E,5E)-1-hydroxypentadeca-3,5-dien-2-yl]thio]ethyl]-methylammonium IUPAC Name: carbamimidoyl-cyano-[2-[(3E,5E)-1-hydroxypentadeca-3,5-dien-2-yl]sulfanylethyl]-methylazanium Traditional Name: amidino-cyano-methyl-[2-[[(2E,4E)-1-methyloltetradeca-2,4-dienyl]thio]ethyl]ammonium Formula: C20H37N4OS+ MolecularWeight: 381.59898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(CO)SCC[N+](C)(C#N)C(=N)N

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(CO)SCC[N+](C)(C#N)C(=N)N

InChI

InChI=1S/C20H37N4OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(17-25)26-16-15-24(2,18-21)20(22)23/h11-14,19,25H,3-10,15-17H2,1-2H3,(H3,22,23)/q+1/b12-11+,14-13+