(2S,3S)-1-(4-methylphenyl)-2-piperidin-1-ium-1-yl-3-piperidin-1-yl-3-thiophen-2-yl-propan-1-one

Systemtic Name: (2S,3S)-1-(4-methylphenyl)-2-piperidin-1-ium-1-yl-3-piperidin-1-yl-3-thiophen-2-yl-propan-1-one Openeye Name: (2S,3S)-2-piperidin-1-ium-1-yl-3-(1-piperidyl)-1-(p-tolyl)-3-(2-thienyl)propan-1-one CAS Name: (2S,3S)-1-(4-methylphenyl)-2-(1-piperidin-1-iumyl)-3-(1-piperidinyl)-3-thiophen-2-yl-1-propanone IUPAC Name: (2S,3S)-1-(4-methylphenyl)-2-piperidin-1-ium-1-yl-3-piperidin-1-yl-3-thiophen-2-ylpropan-1-one Traditional Name: (2S,3S)-2-piperidin-1-ium-1-yl-3-piperidino-1-(p-tolyl)-3-(2-thienyl)propan-1-one Formula: C24H33N2OS+ MolecularWeight: 397.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C(C2=CC=CS2)N3CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H]([C@@H](C2=CC=CS2)N3CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C24H32N2OS/c1-19-10-12-20(13-11-19)24(27)23(26-16-6-3-7-17-26)22(21-9-8-18-28-21)25-14-4-2-5-15-25/h8-13,18,22-23H,2-7,14-17H2,1H3/p+1/t22-,23+/m1/s1