[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-[(3R)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidino]methanone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCCC(C3)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCC[C@H](C3)C)O

InChI

InChI=1S/C21H32N2O3/c1-3-26-20-13-17(6-7-19(20)24)15-22-11-8-18(9-12-22)21(25)23-10-4-5-16(2)14-23/h6-7,13,16,18,24H,3-5,8-12,14-15H2,1-2H3/p+1/t16-/m1/s1