ethyl 4-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(1-naphthalenylmethyl)-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H31N3O2/c1-2-28-23(27)26-15-13-25(14-16-26)21-10-6-12-24(18-21)17-20-9-5-8-19-7-3-4-11-22(19)20/h3-5,7-9,11,21H,2,6,10,12-18H2,1H3/p+1/t21-/m0/s1