1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-N,N-bis(prop-2-enyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-N,N-bis(prop-2-enyl)piperidin-1-ium-4-carboxamide Openeye Name: N,N-diallyl-1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N,N-bis(prop-2-enyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N,N-bis(prop-2-enyl)piperidin-1-ium-4-carboxamide Traditional Name: N,N-diallyl-1-(3-bromo-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C20H28BrN2O3+ MolecularWeight: 424.35192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(CC=C)CC=C)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(CC=C)CC=C)Br)O

InChI

InChI=1S/C20H27BrN2O3/c1-4-8-23(9-5-2)20(25)16-6-10-22(11-7-16)14-15-12-17(21)19(24)18(13-15)26-3/h4-5,12-13,16,24H,1-2,6-11,14H2,3H3/p+1