N-ethyl-N-(2-methylprop-2-enyl)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-ethyl-N-(2-methylprop-2-enyl)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-ethyl-N-(2-methylallyl)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-ethyl-N-(2-methylprop-2-enyl)-1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-ethyl-N-(2-methylprop-2-enyl)-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-ethyl-N-(2-methylallyl)-1-(3-phenoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCN(CC(=C)C)C(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O2/c1-4-27(18-20(2)3)25(28)22-13-15-26(16-14-22)19-21-9-8-12-24(17-21)29-23-10-6-5-7-11-23/h5-12,17,22H,2,4,13-16,18-19H2,1,3H3/p+1