(3S)-3-(4-isothiocyanato-3-methoxy-phenyl)-1-propyl-piperidine

Systemtic Name: (3S)-3-(4-isothiocyanato-3-methoxy-phenyl)-1-propyl-piperidine Openeye Name: (3S)-3-(4-isothiocyanato-3-methoxy-phenyl)-1-propyl-piperidine CAS Name: (3S)-3-(4-isothiocyanato-3-methoxyphenyl)-1-propylpiperidine IUPAC Name: (3S)-3-(4-isothiocyanato-3-methoxyphenyl)-1-propylpiperidine Traditional Name: (3S)-3-(4-isothiocyanato-3-methoxy-phenyl)-1-propyl-piperidine Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC(C1)C2=CC(=C(C=C2)N=C=S)OC

Isomeric SMILES

CCCN1CCC[C@H](C1)C2=CC(=C(C=C2)N=C=S)OC

InChI

InChI=1S/C16H22N2OS/c1-3-8-18-9-4-5-14(11-18)13-6-7-15(17-12-20)16(10-13)19-2/h6-7,10,14H,3-5,8-9,11H2,1-2H3/t14-/m1/s1