1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-methylsulfanylphenyl)urea

Systemtic Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-methylsulfanylphenyl)urea Openeye Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-methylsulfanylphenyl)urea CAS Name: 1-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3-[2-(methylthio)phenyl]urea IUPAC Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-methylsulfanylphenyl)urea Traditional Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-[2-(methylthio)phenyl]urea Formula: C20H32N3OS+ MolecularWeight: 362.55258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C20H31N3OS/c1-25-19-13-7-6-12-18(19)22-20(24)21-16-9-8-14-23(15-16)17-10-4-2-3-5-11-17/h6-7,12-13,16-17H,2-5,8-11,14-15H2,1H3,(H2,21,22,24)/p+1/t16-/m0/s1