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

Systemtic Name: [1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(3-ethoxy-4-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=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4)O

InChI

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