[1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-[(3R)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-(3-ethoxy-2-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=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N3CCC[C@H](C3)C

InChI

InChI=1S/C21H32N2O3/c1-3-26-19-8-4-7-18(20(19)24)15-22-12-9-17(10-13-22)21(25)23-11-5-6-16(2)14-23/h4,7-8,16-17,24H,3,5-6,9-15H2,1-2H3/p+1/t16-/m1/s1