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

Systemtic Name: [1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-(1-piperidyl)methanone CAS Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]-piperidino-methanone Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCCCC3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCCCC3)O

InChI

InChI=1S/C20H30N2O3/c1-2-25-19-14-16(6-7-18(19)23)15-21-12-8-17(9-13-21)20(24)22-10-4-3-5-11-22/h6-7,14,17,23H,2-5,8-13,15H2,1H3/p+1