(4-ethylpiperazin-4-ium-1-yl)-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]methanone Formula: C25H35N3O2+2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c1-2-26-15-17-28(18-16-26)25(29)22-11-13-27(14-12-22)20-21-7-6-10-24(19-21)30-23-8-4-3-5-9-23/h3-10,19,22H,2,11-18,20H2,1H3/p+2