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

Systemtic Name: [1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(3-ethoxy-2-hydroxy-benzyl)piperidin-1-ium-4-yl]-(4-phenylpiperazino)methanone Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3/c1-2-31-23-10-6-7-21(24(23)29)19-26-13-11-20(12-14-26)25(30)28-17-15-27(16-18-28)22-8-4-3-5-9-22/h3-10,20,29H,2,11-19H2,1H3/p+1