N-[(1S)-1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N,2-dimethyl-propanamide

Systemtic Name: N-[(1S)-1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N,2-dimethyl-propanamide Openeye Name: N-[(1S)-1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N,2-dimethyl-propanamide CAS Name: N-[(1S)-1-[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-N,2-dimethylpropanamide IUPAC Name: N-[(1S)-1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide Traditional Name: N-[(1S)-1-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N,2-dimethyl-propionamide Formula: C27H39N2O2+ MolecularWeight: 423.61076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(CC3=CC=CC=C3)N(C)C(=O)C(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)[C@H](CC3=CC=CC=C3)N(C)C(=O)C(C)C

InChI

InChI=1S/C27H38N2O2/c1-5-31-26-14-10-9-13-24(26)20-29-17-15-23(16-18-29)25(28(4)27(30)21(2)3)19-22-11-7-6-8-12-22/h6-14,21,23,25H,5,15-20H2,1-4H3/p+1/t25-/m0/s1