1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[1-(2-ethoxybenzyl)piperidin-1-ium-4-carbonyl]isonipecotamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H31N3O3/c1-2-27-19-6-4-3-5-18(19)15-23-11-7-17(8-12-23)21(26)24-13-9-16(10-14-24)20(22)25/h3-6,16-17H,2,7-15H2,1H3,(H2,22,25)/p+1