cycloheptyl-[(3S,5S)-1-(naphthalen-2-ylmethyl)-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium

Systemtic Name: cycloheptyl-[(3S,5S)-1-(naphthalen-2-ylmethyl)-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Openeye Name: cycloheptyl-[(3S,5S)-5-(isopropylcarbamoyl)-1-(2-naphthylmethyl)pyrrolidin-3-yl]ammonium CAS Name: cycloheptyl-[(3S,5S)-1-(2-naphthalenylmethyl)-5-[oxo-(propan-2-ylamino)methyl]-3-pyrrolidinyl]ammonium IUPAC Name: cycloheptyl-[(3S,5S)-1-(naphthalen-2-ylmethyl)-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Traditional Name: cycloheptyl-[(3S,5S)-5-(isopropylcarbamoyl)-1-(2-naphthylmethyl)pyrrolidin-3-yl]ammonium Formula: C26H38N3O+ MolecularWeight: 408.59942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1CC2=CC3=CC=CC=C3C=C2)[NH2+]C4CCCCCC4

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@@H](CN1CC2=CC3=CC=CC=C3C=C2)[NH2+]C4CCCCCC4

InChI

InChI=1S/C26H37N3O/c1-19(2)27-26(30)25-16-24(28-23-11-5-3-4-6-12-23)18-29(25)17-20-13-14-21-9-7-8-10-22(21)15-20/h7-10,13-15,19,23-25,28H,3-6,11-12,16-18H2,1-2H3,(H,27,30)/p+1/t24-,25-/m0/s1