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

Systemtic Name: N-cycloheptyl-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-cycloheptyl-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-cycloheptyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cycloheptyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-cycloheptyl-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC3CCCCCC3

InChI

InChI=1S/C21H32N2O3/c1-26-19-10-6-7-17(20(19)24)15-23-13-11-16(12-14-23)21(25)22-18-8-4-2-3-5-9-18/h6-7,10,16,18,24H,2-5,8-9,11-15H2,1H3,(H,22,25)/p+1