2-[(3S)-1-[(1R)-1-phenylethyl]piperidin-1-ium-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-[(1R)-1-phenylethyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-[(1R)-1-phenylethyl]piperidin-1-ium-3-yl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-[(1R)-1-phenylethyl]-3-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-[(1R)-1-phenylethyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-[(1R)-1-phenylethyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Formula: C20H23N2S+ MolecularWeight: 323.47502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N2S/c1-15(16-8-3-2-4-9-16)22-13-7-10-17(14-22)20-21-18-11-5-6-12-19(18)23-20/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3/p+1/t15-,17+/m1/s1