ethyl 4-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]piperidine-1-carboxylate CAS Name: 4-[methyl-[(3S)-1-phenethyl-3-piperidin-1-iumyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H36N3O2+ MolecularWeight: 374.54014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O2/c1-3-27-22(26)25-16-12-20(13-17-25)23(2)21-10-7-14-24(18-21)15-11-19-8-5-4-6-9-19/h4-6,8-9,20-21H,3,7,10-18H2,1-2H3/p+1/t21-/m0/s1