N-[4-[4-(3-aminophenyl)piperazin-1-ium-1-yl]butyl]-1-cyclohexyl-methanesulfonamide

Systemtic Name: N-[4-[4-(3-aminophenyl)piperazin-1-ium-1-yl]butyl]-1-cyclohexyl-methanesulfonamide Openeye Name: N-[4-[4-(3-aminophenyl)piperazin-1-ium-1-yl]butyl]-1-cyclohexyl-methanesulfonamide CAS Name: N-[4-[4-(3-aminophenyl)-1-piperazin-1-iumyl]butyl]-1-cyclohexylmethanesulfonamide IUPAC Name: N-[4-[4-(3-aminophenyl)piperazin-1-ium-1-yl]butyl]-1-cyclohexylmethanesulfonamide Traditional Name: N-[4-[4-(3-aminophenyl)piperazin-1-ium-1-yl]butyl]-1-cyclohexyl-methanesulfonamide Formula: C21H37N4O2S+ MolecularWeight: 409.60908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CS(=O)(=O)NCCCC[NH+]2CCN(CC2)C3=CC(=CC=C3)N

Isomeric SMILES

C1CCC(CC1)CS(=O)(=O)NCCCC[NH+]2CCN(CC2)C3=CC(=CC=C3)N

InChI

InChI=1S/C21H36N4O2S/c22-20-9-6-10-21(17-20)25-15-13-24(14-16-25)12-5-4-11-23-28(26,27)18-19-7-2-1-3-8-19/h6,9-10,17,19,23H,1-5,7-8,11-16,18,22H2/p+1