(4-ethylpiperazin-4-ium-1-yl)-[4-[4-(4-phenylpiperidin-1-ium-1-yl)piperidin-1-yl]phenyl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[4-[4-(4-phenylpiperidin-1-ium-1-yl)piperidin-1-yl]phenyl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[4-[4-(4-phenylpiperidin-1-ium-1-yl)-1-piperidyl]phenyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[4-[4-(4-phenyl-1-piperidin-1-iumyl)-1-piperidinyl]phenyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[4-[4-(4-phenylpiperidin-1-ium-1-yl)piperidin-1-yl]phenyl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[4-[4-(4-phenylpiperidin-1-ium-1-yl)piperidino]phenyl]methanone Formula: C29H42N4O+2 MolecularWeight: 462.66998

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H40N4O/c1-2-30-20-22-33(23-21-30)29(34)26-8-10-27(11-9-26)32-18-14-28(15-19-32)31-16-12-25(13-17-31)24-6-4-3-5-7-24/h3-11,25,28H,2,12-23H2,1H3/p+2