2-adamantyl-[(3R,5S)-5-(methylcarbamoyl)-1-(phenylmethyl)pyrrolidin-3-yl]azanium

Systemtic Name: 2-adamantyl-[(3R,5S)-5-(methylcarbamoyl)-1-(phenylmethyl)pyrrolidin-3-yl]azanium Openeye Name: 2-adamantyl-[(3R,5S)-1-benzyl-5-(methylcarbamoyl)pyrrolidin-3-yl]ammonium CAS Name: 2-adamantyl-[(3R,5S)-5-(methylcarbamoyl)-1-(phenylmethyl)-3-pyrrolidinyl]ammonium IUPAC Name: 2-adamantyl-[(3R,5S)-1-benzyl-5-(methylcarbamoyl)pyrrolidin-3-yl]azanium Traditional Name: 2-adamantyl-[(3R,5S)-1-benzyl-5-(methylcarbamoyl)pyrrolidin-3-yl]ammonium Formula: C23H34N3O+ MolecularWeight: 368.53556

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(CN1CC2=CC=CC=C2)[NH2+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CNC(=O)[C@@H]1C[C@H](CN1CC2=CC=CC=C2)[NH2+]C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H33N3O/c1-24-23(27)21-12-20(14-26(21)13-15-5-3-2-4-6-15)25-22-18-8-16-7-17(10-18)11-19(22)9-16/h2-6,16-22,25H,7-14H2,1H3,(H,24,27)/p+1/t16?,17?,18?,19?,20-,21+,22?/m1/s1