N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC3=CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C22H32N2O3/c1-27-20-9-5-8-19(21(20)25)16-24-14-11-18(12-15-24)22(26)23-13-10-17-6-3-2-4-7-17/h5-6,8-9,18,25H,2-4,7,10-16H2,1H3,(H,23,26)/p+1