N-[4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(3-phenylpropyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-18(25)22-20-9-11-21(12-10-20)28(26,27)24-16-14-23(15-17-24)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3,(H,22,25)/p+1