(3S)-N-phenyl-1-(thian-4-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-phenyl-1-(thian-4-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-phenyl-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-amine CAS Name: (3S)-N-phenyl-1-(4-thianyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-phenyl-1-(thian-4-yl)piperidin-1-ium-3-amine Traditional Name: phenyl-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]amine Formula: C16H25N2S+ MolecularWeight: 277.4481

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSCC2)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCSCC2)NC3=CC=CC=C3

InChI

InChI=1S/C16H24N2S/c1-2-5-14(6-3-1)17-15-7-4-10-18(13-15)16-8-11-19-12-9-16/h1-3,5-6,15-17H,4,7-13H2/p+1/t15-/m0/s1