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

Systemtic Name: (3S)-N-methyl-N-phenethyl-1-(thian-4-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-N-phenethyl-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-phenethyl-1-(4-thianyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-N-phenethyl-1-(thian-4-yl)piperidin-1-ium-3-amine Traditional Name: methyl-phenethyl-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]amine Formula: C19H31N2S+ MolecularWeight: 319.52784

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)C3CCSCC3

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)C3CCSCC3

InChI

InChI=1S/C19H30N2S/c1-20(13-9-17-6-3-2-4-7-17)19-8-5-12-21(16-19)18-10-14-22-15-11-18/h2-4,6-7,18-19H,5,8-16H2,1H3/p+1/t19-/m0/s1