2,6-ditert-butyl-4-[(R)-(4-methylpiperazin-4-ium-1-yl)-thiophen-2-yl-methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(R)-(4-methylpiperazin-4-ium-1-yl)-thiophen-2-yl-methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(R)-(4-methylpiperazin-4-ium-1-yl)-(2-thienyl)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(R)-(4-methyl-1-piperazin-4-iumyl)-thiophen-2-ylmethyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(R)-(4-methylpiperazin-4-ium-1-yl)-thiophen-2-ylmethyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(R)-(4-methylpiperazin-4-ium-1-yl)-(2-thienyl)methyl]phenol Formula: C24H37N2OS+ MolecularWeight: 401.62838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=CS2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H](C2=CC=CS2)N3CC[NH+](CC3)C

InChI

InChI=1S/C24H36N2OS/c1-23(2,3)18-15-17(16-19(22(18)27)24(4,5)6)21(20-9-8-14-28-20)26-12-10-25(7)11-13-26/h8-9,14-16,21,27H,10-13H2,1-7H3/p+1/t21-/m1/s1