3-[(3R)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-[(3R)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-[(3R)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-[(3R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-[(3R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-vanillylpiperidin-1-ium-3-yl]propionamide Formula: C23H39N3O3+2 MolecularWeight: 405.57406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CCC2CCC[NH+](C2)CC3=CC(=C(C=C3)O)OC

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C23H37N3O3/c1-24-13-10-20(11-14-24)25(2)23(28)9-7-18-5-4-12-26(16-18)17-19-6-8-21(27)22(15-19)29-3/h6,8,15,18,20,27H,4-5,7,9-14,16-17H2,1-3H3/p+2/t18-/m1/s1