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

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-propylsulfonylphenyl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-propylsulfonylphenyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(2-propylsulfonylphenyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-propylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-propylsulfonylphenyl)methanone Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-2-16-27(25,26)20-11-7-6-10-19(20)21(24)23-14-12-22(13-15-23)17-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3/p+1