N-[(3-chlorophenyl)methyl]-3-[1-[(2-methoxy-6-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[1-[(2-methoxy-6-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[1-[(2-hydroxy-6-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[1-[(2-hydroxy-6-methoxyphenyl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chlorobenzyl)-3-[1-(2-hydroxy-6-methoxy-benzyl)piperidin-1-ium-4-yl]propionamide Formula: C23H30ClN2O3+ MolecularWeight: 417.9489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl)O

Isomeric SMILES

COC1=CC=CC(=C1C[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C23H29ClN2O3/c1-29-22-7-3-6-21(27)20(22)16-26-12-10-17(11-13-26)8-9-23(28)25-15-18-4-2-5-19(24)14-18/h2-7,14,17,27H,8-13,15-16H2,1H3,(H,25,28)/p+1