3-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(3-ethoxybenzyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazino)propan-1-one Formula: C23H38N3O2+ MolecularWeight: 388.56672

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC(=CC=C3)OCC

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC(=CC=C3)OCC

InChI

InChI=1S/C23H37N3O2/c1-3-24-14-16-26(17-15-24)23(27)9-8-20-10-12-25(13-11-20)19-21-6-5-7-22(18-21)28-4-2/h5-7,18,20H,3-4,8-17,19H2,1-2H3/p+1