2-azanyl-1-[2-(4-fluoranylnaphthalen-1-yl)carbonyl-1-(phenylmethyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone

Systemtic Name: 2-azanyl-1-[2-(4-fluoranylnaphthalen-1-yl)carbonyl-1-(phenylmethyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone Openeye Name: 2-amino-1-[1-benzyl-2-(4-fluoronaphthalene-1-carbonyl)-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone CAS Name: 2-amino-1-[2-[(4-fluoro-1-naphthalenyl)-oxomethyl]-1-(phenylmethyl)-1-(4-piperidinyl)-2-piperazin-1-iumyl]ethanone IUPAC Name: 2-amino-1-[1-benzyl-2-(4-fluoronaphthalene-1-carbonyl)-1-piperidin-4-ylpiperazin-1-ium-2-yl]ethanone Traditional Name: 2-amino-1-[1-benzyl-2-(4-fluoro-1-naphthoyl)-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone Formula: C29H34FN4O2+ MolecularWeight: 489.604263

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1[N+]2(CCNCC2(C(=O)CN)C(=O)C3=CC=C(C4=CC=CC=C43)F)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCC1[N+]2(CCNCC2(C(=O)CN)C(=O)C3=CC=C(C4=CC=CC=C43)F)CC5=CC=CC=C5

InChI

InChI=1S/C29H34FN4O2/c30-26-11-10-25(23-8-4-5-9-24(23)26)28(36)29(27(35)18-31)20-33-16-17-34(29,22-12-14-32-15-13-22)19-21-6-2-1-3-7-21/h1-11,22,32-33H,12-20,31H2/q+1