dimethyl-[3-[methyl-[(3S)-1-(3-phenylpropanoyl)piperidin-3-yl]azaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[methyl-[(3S)-1-(3-phenylpropanoyl)piperidin-3-yl]azaniumyl]propyl]azanium Openeye Name: dimethyl-[3-[methyl-[(3S)-1-(3-phenylpropanoyl)-3-piperidyl]ammonio]propyl]ammonium CAS Name: dimethyl-[3-[methyl-[(3S)-1-(1-oxo-3-phenylpropyl)-3-piperidinyl]ammonio]propyl]ammonium IUPAC Name: dimethyl-[3-[methyl-[(3S)-1-(3-phenylpropanoyl)piperidin-3-yl]azaniumyl]propyl]azanium Traditional Name: 3-(dimethylammonio)propyl-[(3S)-1-hydrocinnamoyl-3-piperidyl]-methyl-ammonium Formula: C20H35N3O+2 MolecularWeight: 333.5114

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](C)C1CCCN(C1)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCC[NH+](C)[C@H]1CCCN(C1)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H33N3O/c1-21(2)14-8-15-22(3)19-11-7-16-23(17-19)20(24)13-12-18-9-5-4-6-10-18/h4-6,9-10,19H,7-8,11-17H2,1-3H3/p+2/t19-/m0/s1