2-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C26H34N3O3S+ MolecularWeight: 468.63146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C26H33N3O3S/c1-20-9-10-23(32-2)21(17-20)18-27-13-15-29(16-14-27)26(31)22-7-3-4-8-24(22)33-19-25(30)28-11-5-6-12-28/h3-4,7-10,17H,5-6,11-16,18-19H2,1-2H3/p+1