ethanoyl-hexanoyl-oxidanyl-[3-(7-phenylheptylamino)-4-(phenylmethyl)phenyl]sulfanyl-azanium

Systemtic Name: ethanoyl-hexanoyl-oxidanyl-[3-(7-phenylheptylamino)-4-(phenylmethyl)phenyl]sulfanyl-azanium Openeye Name: acetyl-[4-benzyl-3-(7-phenylheptylamino)phenyl]sulfanyl-hexanoyl-hydroxy-ammonium CAS Name: acetyl-hydroxy-(1-oxohexyl)-[[3-(7-phenylheptylamino)-4-(phenylmethyl)phenyl]thio]ammonium IUPAC Name: acetyl-[4-benzyl-3-(7-phenylheptylamino)phenyl]sulfanyl-hexanoyl-hydroxyazanium Traditional Name: acetyl-[[4-benzyl-3-(7-phenylheptylamino)phenyl]thio]-caproyl-hydroxy-ammonium Formula: C34H45N2O3S+ MolecularWeight: 561.7977

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)[N+](C(=O)C)(O)SC1=CC(=C(C=C1)CC2=CC=CC=C2)NCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)[N+](C(=O)C)(O)SC1=CC(=C(C=C1)CC2=CC=CC=C2)NCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C34H45N2O3S/c1-3-4-10-22-34(38)36(39,28(2)37)40-32-24-23-31(26-30-20-14-9-15-21-30)33(27-32)35-25-16-7-5-6-11-17-29-18-12-8-13-19-29/h8-9,12-15,18-21,23-24,27,35,39H,3-7,10-11,16-17,22,25-26H2,1-2H3/q+1