methyl-(phenylmethyl)-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-(thiazol-2-ylmethyl)-3-piperidyl]ammonium CAS Name: methyl-(phenylmethyl)-[(3S)-1-(2-thiazolylmethyl)-3-piperidinyl]ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-(thiazol-2-ylmethyl)-3-piperidyl]ammonium Formula: C17H24N3S+ MolecularWeight: 302.45756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)CC3=NC=CS3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=NC=CS3

InChI

InChI=1S/C17H23N3S/c1-19(12-15-6-3-2-4-7-15)16-8-5-10-20(13-16)14-17-18-9-11-21-17/h2-4,6-7,9,11,16H,5,8,10,12-14H2,1H3/p+1/t16-/m0/s1