ethyl 4-[(3S)-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(3-acetylphenyl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(3-acetylbenzyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H31N3O3/c1-3-27-21(26)24-12-10-23(11-13-24)20-8-5-9-22(16-20)15-18-6-4-7-19(14-18)17(2)25/h4,6-7,14,20H,3,5,8-13,15-16H2,1-2H3/p+1/t20-/m0/s1