[4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-isopropylsulfanylphenyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[2-(propan-2-ylthio)phenyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-propan-2-ylsulfanylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(isopropylthio)phenyl]methanone Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c1-17(2)25-20-11-7-6-10-19(20)21(24)23-14-12-22(13-15-23)16-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3/p+1