N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]-3-[2-(piperidin-1-ylmethyl)phenoxy]propan-1-amine

Systemtic Name: N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]-3-[2-(piperidin-1-ylmethyl)phenoxy]propan-1-amine Openeye Name: N-[(E)-1-methylsulfanyl-2-nitro-vinyl]-3-[2-(1-piperidylmethyl)phenoxy]propan-1-amine CAS Name: N-[(E)-1-(methylthio)-2-nitroethenyl]-3-[2-(1-piperidinylmethyl)phenoxy]-1-propanamine IUPAC Name: N-[(E)-1-methylsulfanyl-2-nitroethenyl]-3-[2-(piperidin-1-ylmethyl)phenoxy]propan-1-amine Traditional Name: [(E)-1-(methylthio)-2-nitro-vinyl]-[3-[2-(piperidinomethyl)phenoxy]propyl]amine Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C[N+](=O)[O-])NCCCOC1=CC=CC=C1CN2CCCCC2

Isomeric SMILES

CS/C(=C/[N+](=O)[O-])/NCCCOC1=CC=CC=C1CN2CCCCC2

InChI

InChI=1S/C18H27N3O3S/c1-25-18(15-21(22)23)19-10-7-13-24-17-9-4-3-8-16(17)14-20-11-5-2-6-12-20/h3-4,8-9,15,19H,2,5-7,10-14H2,1H3/b18-15+