(2-methylsulfanylphenyl)-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone Openeye Name: [(3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [2-(methylthio)phenyl]-[(3S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone Traditional Name: [(3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-piperidyl]-[2-(methylthio)phenyl]methanone Formula: C21H33N2OS+ MolecularWeight: 361.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H32N2OS/c1-16(2)22-13-10-18(11-14-22)23-12-6-7-17(15-23)21(24)19-8-4-5-9-20(19)25-3/h4-5,8-9,16-18H,6-7,10-15H2,1-3H3/p+1/t17-/m0/s1