1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1R)-1-methyl-3-phenyl-propyl]piperazin-4-ium Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N2O3S/c1-18(8-9-19-6-4-3-5-7-19)22-14-16-23(17-15-22)27(24,25)21-12-10-20(26-2)11-13-21/h3-7,10-13,18H,8-9,14-17H2,1-2H3/p+1/t18-/m1/s1