N,N-dimethyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: N,N-dimethyl-4-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-18(2)20-7-5-19(6-8-20)17-25-13-15-26(16-14-25)23(27)21-9-11-22(12-10-21)30(28,29)24(3)4/h5-12,18H,13-17H2,1-4H3/p+1