2-[[(2S)-2-(1-adamantyl)-2-benzamido-ethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-(1-adamantyl)-2-benzamido-ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-(1-adamantyl)-2-benzamido-acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-(1-adamantyl)-2-benzamido-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-(1-adamantyl)-2-benzamidoacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-(1-adamantyl)-2-benzamido-acetyl]amino]ethyl-dimethyl-ammonium Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCNC(=O)[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H33N3O2/c1-26(2)9-8-24-22(28)20(25-21(27)19-6-4-3-5-7-19)23-13-16-10-17(14-23)12-18(11-16)15-23/h3-7,16-18,20H,8-15H2,1-2H3,(H,24,28)(H,25,27)/p+1/t16?,17?,18?,20-,23?/m1/s1