3-(3-methoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(3-methoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3-methoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(3-methoxyphenyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3-methoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(3-methoxyphenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-27-22-7-5-6-19(16-22)12-13-23(26)24-17-20-8-10-21(11-9-20)18-25-14-3-2-4-15-25/h5-11,16H,2-4,12-15,17-18H2,1H3,(H,24,26)/p+1