(3-cyanophenyl)methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium

Systemtic Name: (3-cyanophenyl)methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium Openeye Name: (3-cyanophenyl)methyl-(1-ethoxycarbonyl-4-piperidyl)ammonium CAS Name: (3-cyanophenyl)methyl-(1-ethoxycarbonyl-4-piperidinyl)ammonium IUPAC Name: (3-cyanophenyl)methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium Traditional Name: (1-carbethoxy-4-piperidyl)-(3-cyanobenzyl)ammonium Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]CC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+]CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H21N3O2/c1-2-21-16(20)19-8-6-15(7-9-19)18-12-14-5-3-4-13(10-14)11-17/h3-5,10,15,18H,2,6-9,12H2,1H3/p+1