[4-(methylsulfonylmethyl)phenyl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(methylsulfonylmethyl)phenyl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone CAS Name: [4-(methylsulfonylmethyl)phenyl]-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(methylsulfonylmethyl)phenyl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-[4-(mesylmethyl)phenyl]methanone Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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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)CS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-18(2)21-8-4-19(5-9-21)16-24-12-14-25(15-13-24)23(26)22-10-6-20(7-11-22)17-29(3,27)28/h4-11,18H,12-17H2,1-3H3/p+1