5-methyl-4-propan-2-yl-2-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 5-methyl-4-propan-2-yl-2-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4-isopropyl-5-methyl-2-[[4-(3-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 5-methyl-4-propan-2-yl-2-[[4-(3-thiophenylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 5-methyl-4-propan-2-yl-2-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 4-isopropyl-5-methyl-2-[[4-(3-thenyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C20H30N2OS+2 MolecularWeight: 346.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CC[NH+](CC2)CC3=CSC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CC[NH+](CC2)CC3=CSC=C3)O

InChI

InChI=1S/C20H28N2OS/c1-15(2)19-11-18(20(23)10-16(19)3)13-22-7-5-21(6-8-22)12-17-4-9-24-14-17/h4,9-11,14-15,23H,5-8,12-13H2,1-3H3/p+2