ethyl 4-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-dimethylaminophenyl)allyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(E)-3-(4-dimethylaminophenyl)allyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C/C=C/C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H27N3O2/c1-4-23-18(22)21-14-12-20(13-15-21)11-5-6-16-7-9-17(10-8-16)19(2)3/h5-10H,4,11-15H2,1-3H3/p+1/b6-5+