ethyl 4-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC(=CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)C/C(=C/C3=CC=CC=C3)/C

InChI

InChI=1S/C23H33N3O3/c1-3-29-23(28)26-15-13-25(14-16-26)22(27)21-9-11-24(12-10-21)18-19(2)17-20-7-5-4-6-8-20/h4-8,17,21H,3,9-16,18H2,1-2H3/p+1/b19-17+