(4-ethylpiperazin-4-ium-1-yl)-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]methanone Formula: C25H43N4O+3 MolecularWeight: 415.63512

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H40N4O/c1-3-26-16-18-29(19-17-26)25(30)22-8-14-28(15-9-22)24-10-12-27(13-11-24)20-23-7-5-4-6-21(23)2/h4-7,22,24H,3,8-20H2,1-2H3/p+3