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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-1-(3-ethoxy-2-hydroxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC3=CCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C23H34N2O3/c1-2-28-21-10-6-9-20(22(21)26)17-25-15-12-19(13-16-25)23(27)24-14-11-18-7-4-3-5-8-18/h6-7,9-10,19,26H,2-5,8,11-17H2,1H3,(H,24,27)/p+1