methyl-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]-[4-(propylcarbamoyl)phenyl]azanium

Systemtic Name: methyl-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]-[4-(propylcarbamoyl)phenyl]azanium Openeye Name: [2-(3-hydroxypyrrolidin-1-yl)-1-phenyl-ethyl]-methyl-[4-(propylcarbamoyl)phenyl]ammonium CAS Name: [2-(3-hydroxy-1-pyrrolidinyl)-1-phenylethyl]-methyl-[4-[oxo(propylamino)methyl]phenyl]ammonium IUPAC Name: [2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methyl-[4-(propylcarbamoyl)phenyl]azanium Traditional Name: [2-(3-hydroxypyrrolidino)-1-phenyl-ethyl]-methyl-[4-(propylcarbamoyl)phenyl]ammonium Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)[NH+](C)C(CN2CCC(C2)O)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)[NH+](C)C(CN2CCC(C2)O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O2/c1-3-14-24-23(28)19-9-11-20(12-10-19)25(2)22(18-7-5-4-6-8-18)17-26-15-13-21(27)16-26/h4-12,21-22,27H,3,13-17H2,1-2H3,(H,24,28)/p+1