2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide

Systemtic Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide Openeye Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide Traditional Name: 2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-(2-thienyl)ethyl]acetamide Formula: C21H31N3O2S+2 MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)N[C@H](C)C3=CC=CS3

InChI

InChI=1S/C21H29N3O2S/c1-16-6-7-19(26-3)18(13-16)14-23-8-10-24(11-9-23)15-21(25)22-17(2)20-5-4-12-27-20/h4-7,12-13,17H,8-11,14-15H2,1-3H3,(H,22,25)/p+2/t17-/m1/s1