3-(3,5-dimethoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(3,5-dimethoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3,5-dimethoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(3,5-dimethoxyphenyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3,5-dimethoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(3,5-dimethoxyphenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)OC

InChI

InChI=1S/C24H32N2O3/c1-28-22-14-21(15-23(16-22)29-2)10-11-24(27)25-17-19-6-8-20(9-7-19)18-26-12-4-3-5-13-26/h6-9,14-16H,3-5,10-13,17-18H2,1-2H3,(H,25,27)/p+1