(3S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(4-dimethylaminophenyl)allyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(4-dimethylaminophenyl)allyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)C/C=C/C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H33N3O/c1-5-24(6-2)21(25)19-10-8-16-23(17-19)15-7-9-18-11-13-20(14-12-18)22(3)4/h7,9,11-14,19H,5-6,8,10,15-17H2,1-4H3/p+1/b9-7+/t19-/m0/s1