[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-thiophen-2-yl-methanone

Systemtic Name: [2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-thiophen-2-yl-methanone Openeye Name: [2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-(2-thienyl)methanone CAS Name: [2-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-thiophen-2-ylmethanone IUPAC Name: [2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-thiophen-2-ylmethanone Traditional Name: [2-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbonyl]phenyl]-(2-thienyl)methanone Formula: C25H27N2O3S+ MolecularWeight: 435.55848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C25H26N2O3S/c1-18-9-10-22(30-2)19(16-18)17-26-11-13-27(14-12-26)25(29)21-7-4-3-6-20(21)24(28)23-8-5-15-31-23/h3-10,15-16H,11-14,17H2,1-2H3/p+1