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

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1H-indol-3-ylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CC3=CNC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C26H33N3O3/c1-31-22-11-10-20(25(14-22)32-2)15-28-26(30)12-9-19-6-5-13-29(17-19)18-21-16-27-24-8-4-3-7-23(21)24/h3-4,7-8,10-11,14,16,19,27H,5-6,9,12-13,15,17-18H2,1-2H3,(H,28,30)/p+1/t19-/m1/s1