(2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C25H29N3O2S/c1-19-8-9-23(30-2)22(16-19)26-25(29)24(21-6-4-3-5-7-21)28-13-11-27(12-14-28)17-20-10-15-31-18-20/h3-10,15-16,18,24H,11-14,17H2,1-2H3,(H,26,29)/p+1/t24-/m0/s1