cyclohexylmethyl-[(3S,5S)-5-(methylcarbamoyl)-1-(phenylmethyl)pyrrolidin-3-yl]azanium

Systemtic Name: cyclohexylmethyl-[(3S,5S)-5-(methylcarbamoyl)-1-(phenylmethyl)pyrrolidin-3-yl]azanium Openeye Name: [(3S,5S)-1-benzyl-5-(methylcarbamoyl)pyrrolidin-3-yl]-(cyclohexylmethyl)ammonium CAS Name: cyclohexylmethyl-[(3S,5S)-5-(methylcarbamoyl)-1-(phenylmethyl)-3-pyrrolidinyl]ammonium IUPAC Name: [(3S,5S)-1-benzyl-5-(methylcarbamoyl)pyrrolidin-3-yl]-(cyclohexylmethyl)azanium Traditional Name: [(3S,5S)-1-benzyl-5-(methylcarbamoyl)pyrrolidin-3-yl]-(cyclohexylmethyl)ammonium Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(CN1CC2=CC=CC=C2)[NH2+]CC3CCCCC3

Isomeric SMILES

CNC(=O)[C@@H]1C[C@@H](CN1CC2=CC=CC=C2)[NH2+]CC3CCCCC3

InChI

InChI=1S/C20H31N3O/c1-21-20(24)19-12-18(22-13-16-8-4-2-5-9-16)15-23(19)14-17-10-6-3-7-11-17/h3,6-7,10-11,16,18-19,22H,2,4-5,8-9,12-15H2,1H3,(H,21,24)/p+1/t18-,19-/m0/s1