3-(3,4-dimethoxyphenyl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H34N2O3/c1-26(25(28)14-12-21-11-13-23(29-2)24(18-21)30-3)22-10-7-16-27(19-22)17-15-20-8-5-4-6-9-20/h4-6,8-9,11,13,18,22H,7,10,12,14-17,19H2,1-3H3/p+1/t22-/m0/s1