N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(quinolin-5-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(quinolin-5-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(5-quinolylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(5-quinolinylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(quinolin-5-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(5-quinolylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CC3=C4C=CC=NC4=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=C4C=CC=NC4=CC=C3)OC

InChI

InChI=1S/C27H33N3O3/c1-32-23-12-11-21(26(16-23)33-2)17-29-27(31)13-10-20-6-5-15-30(18-20)19-22-7-3-9-25-24(22)8-4-14-28-25/h3-4,7-9,11-12,14,16,20H,5-6,10,13,15,17-19H2,1-2H3,(H,29,31)/p+1/t20-/m1/s1