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

Systemtic Name: 3-[(3R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-[(3R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-[(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-[(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-[(3R)-1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propionamide Formula: C25H43N3O3+2 MolecularWeight: 433.62722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)CCC(=O)N(C)C3CC[NH+](CC3)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)CCC(=O)N(C)C3CC[NH+](CC3)C)OC

InChI

InChI=1S/C25H41N3O3/c1-5-31-24-17-21(8-10-23(24)30-4)19-28-14-6-7-20(18-28)9-11-25(29)27(3)22-12-15-26(2)16-13-22/h8,10,17,20,22H,5-7,9,11-16,18-19H2,1-4H3/p+2/t20-/m1/s1