[4-[bis(2-isocyanoethyl)amino]-2-(3,7-dimethyloctylsulfanyl)phenyl]iminoazanium

Systemtic Name: [4-[bis(2-isocyanoethyl)amino]-2-(3,7-dimethyloctylsulfanyl)phenyl]iminoazanium Openeye Name: [4-[bis(2-isocyanoethyl)amino]-2-(3,7-dimethyloctylsulfanyl)phenyl]iminoammonium CAS Name: [4-[bis(2-isocyanoethyl)amino]-2-(3,7-dimethyloctylthio)phenyl]iminoammonium IUPAC Name: [4-[bis(2-isocyanoethyl)amino]-2-(3,7-dimethyloctylsulfanyl)phenyl]iminoazanium Traditional Name: [4-[bis(2-isocyanoethyl)amino]-2-(3,7-dimethyloctylthio)phenyl]iminoammonium Formula: C22H34N5S+ MolecularWeight: 400.60386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCSC1=C(C=CC(=C1)N(CC[N+]#[C-])CC[N+]#[C-])N=[NH2+]

Isomeric SMILES

CC(C)CCCC(C)CCSC1=C(C=CC(=C1)N(CC[N+]#[C-])CC[N+]#[C-])N=[NH2+]

InChI

InChI=1S/C22H33N5S/c1-18(2)7-6-8-19(3)11-16-28-22-17-20(9-10-21(22)26-23)27(14-12-24-4)15-13-25-5/h9-10,17-19,23H,6-8,11-16H2,1-3H3/p+1