[(1R)-2-[[(5S,7R)-3-acetamido-1-adamantyl]carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[(5S,7R)-3-acetamido-1-adamantyl]carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[[(5S,7R)-3-acetamido-1-adamantyl]-oxomethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCC(C4=CC=CS4)[NH+](C)C

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NC[C@H](C4=CC=CS4)[NH+](C)C

InChI

InChI=1S/C21H31N3O2S/c1-14(25)23-21-10-15-7-16(11-21)9-20(8-15,13-21)19(26)22-12-17(24(2)3)18-5-4-6-27-18/h4-6,15-17H,7-13H2,1-3H3,(H,22,26)(H,23,25)/p+1/t15-,16+,17-,20?,21?/m1/s1