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

Systemtic Name: N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine Openeye Name: N-[(E)-1-methylsulfanyl-2-nitro-vinyl]-3-[3-(1-piperidylmethyl)phenoxy]propan-1-amine CAS Name: N-[(E)-1-(methylthio)-2-nitroethenyl]-3-[3-(1-piperidinylmethyl)phenoxy]-1-propanamine IUPAC Name: N-[(E)-1-methylsulfanyl-2-nitroethenyl]-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine Traditional Name: [(E)-1-(methylthio)-2-nitro-vinyl]-[3-[3-(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(=C1)CN2CCCCC2

Isomeric SMILES

CS/C(=C/[N+](=O)[O-])/NCCCOC1=CC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C18H27N3O3S/c1-25-18(15-21(22)23)19-9-6-12-24-17-8-5-7-16(13-17)14-20-10-3-2-4-11-20/h5,7-8,13,15,19H,2-4,6,9-12,14H2,1H3/b18-15+