1,3-benzodioxol-4-ylmethyl-[(3S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium

Systemtic Name: 1,3-benzodioxol-4-ylmethyl-[(3S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium Openeye Name: 1,3-benzodioxol-4-ylmethyl-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]ammonium CAS Name: 1,3-benzodioxol-4-ylmethyl-[(3S)-5-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]ammonium IUPAC Name: 1,3-benzodioxol-4-ylmethyl-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium Traditional Name: 1,3-benzodioxol-4-ylmethyl-[(3S)-5-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCCC2=CC=CC=C2)[NH2+]CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1[C@@H](CN(C1=O)CCCC2=CC=CC=C2)[NH2+]CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H24N2O3/c24-20-12-18(14-23(20)11-5-8-16-6-2-1-3-7-16)22-13-17-9-4-10-19-21(17)26-15-25-19/h1-4,6-7,9-10,18,22H,5,8,11-15H2/p+1/t18-/m0/s1