3-(dimethylazaniumyl)propyl-[(3S)-1-(3,4-dimethylphenyl)carbonylpiperidin-3-yl]-methyl-azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(3S)-1-(3,4-dimethylphenyl)carbonylpiperidin-3-yl]-methyl-azanium Openeye Name: 3-(dimethylammonio)propyl-[(3S)-1-(3,4-dimethylbenzoyl)-3-piperidyl]-methyl-ammonium CAS Name: 3-(dimethylammonio)propyl-[(3S)-1-[(3,4-dimethylphenyl)-oxomethyl]-3-piperidinyl]-methylammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]-methylazanium Traditional Name: 3-(dimethylammonio)propyl-[(3S)-1-(3,4-dimethylbenzoyl)-3-piperidyl]-methyl-ammonium Formula: C20H35N3O+2 MolecularWeight: 333.5114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC(C2)[NH+](C)CCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[C@@H](C2)[NH+](C)CCC[NH+](C)C)C

InChI

InChI=1S/C20H33N3O/c1-16-9-10-18(14-17(16)2)20(24)23-13-6-8-19(15-23)22(5)12-7-11-21(3)4/h9-10,14,19H,6-8,11-13,15H2,1-5H3/p+2/t19-/m0/s1