3-[1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: 3-[1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-methyl-propanamide CAS Name: 3-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-N-methylpropanamide Traditional Name: N-benzyl-3-[1-(4-methoxy-2,5-dimethyl-benzyl)piperidin-1-ium-4-yl]-N-methyl-propionamide Formula: C26H37N2O2+ MolecularWeight: 409.58418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCC(CC2)CCC(=O)N(C)CC3=CC=CC=C3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCC(CC2)CCC(=O)N(C)CC3=CC=CC=C3)C)OC

InChI

InChI=1S/C26H36N2O2/c1-20-17-25(30-4)21(2)16-24(20)19-28-14-12-22(13-15-28)10-11-26(29)27(3)18-23-8-6-5-7-9-23/h5-9,16-17,22H,10-15,18-19H2,1-4H3/p+1