4-[(E)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]prop-1-enyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(E)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]prop-1-enyl]-N,N-dimethyl-aniline Openeye Name: 4-[(E)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]prop-1-enyl]-N,N-dimethyl-aniline CAS Name: 4-[(E)-3-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]prop-1-enyl]-N,N-dimethylaniline IUPAC Name: 4-[(E)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]prop-1-enyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]prop-1-enyl]phenyl]-dimethyl-amine Formula: C18H29N2+ MolecularWeight: 273.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC=CC2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2/c1-15-12-16(2)14-20(13-15)11-5-6-17-7-9-18(10-8-17)19(3)4/h5-10,15-16H,11-14H2,1-4H3/p+1/b6-5+/t15-,16-/m1/s1