N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(8-quinolylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(8-quinolinylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(quinolin-8-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(8-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=CC=CC4=C3N=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CC4=C3N=CC=C4)OC

InChI

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