N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: 3-[(3R)-1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-[(3R)-1-[(2-prop-2-enoxyphenyl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: 3-[(3R)-1-(2-allyloxybenzyl)piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propionamide Formula: C25H41N3O2+2 MolecularWeight: 415.61194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CCC2CCC[NH+](C2)CC3=CC=CC=C3OCC=C

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C25H39N3O2/c1-4-18-30-24-10-6-5-9-22(24)20-28-15-7-8-21(19-28)11-12-25(29)27(3)23-13-16-26(2)17-14-23/h4-6,9-10,21,23H,1,7-8,11-20H2,2-3H3/p+2/t21-/m1/s1