methyl-(phenylmethyl)-[(3S)-1-(thian-4-yl)piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-(thian-4-yl)piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-tetrahydrothiopyran-4-yl-3-piperidyl]ammonium CAS Name: methyl-(phenylmethyl)-[(3S)-1-(4-thianyl)-3-piperidinyl]ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(thian-4-yl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-tetrahydrothiopyran-4-yl-3-piperidyl]ammonium Formula: C18H29N2S+ MolecularWeight: 305.50126

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C3CCSCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C3CCSCC3

InChI

InChI=1S/C18H28N2S/c1-19(14-16-6-3-2-4-7-16)18-8-5-11-20(15-18)17-9-12-21-13-10-17/h2-4,6-7,17-18H,5,8-15H2,1H3/p+1/t18-/m0/s1