4-methoxy-N-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-4-methoxy-benzenesulfonamide CAS Name: 4-methoxy-N-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-4-methoxybenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-4-methoxy-benzenesulfonamide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3S/c1-27-20-8-10-21(11-9-20)28(25,26)22-12-5-13-23-14-16-24(17-15-23)18-19-6-3-2-4-7-19/h2-4,6-11,22H,5,12-18H2,1H3/p+1