N-[(3-chlorophenyl)methyl]-3-[1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[1-[(2-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chlorobenzyl)-3-[1-(2-hydroxy-5-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(=C(C=C1)O)C[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl

InChI

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