N-[(2-chlorophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C23H30ClN2O4+ MolecularWeight: 433.9483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H29ClN2O4/c1-28-20-12-16(13-21(29-2)22(20)30-3)15-26-10-8-17(9-11-26)23(27)25-14-18-6-4-5-7-19(18)24/h4-7,12-13,17H,8-11,14-15H2,1-3H3,(H,25,27)/p+1