2-[4-[(4-chloranyl-1-oxidanyl-naphthalen-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[(4-chloranyl-1-oxidanyl-naphthalen-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[(4-chloro-1-hydroxy-2-naphthyl)methyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(4-chloro-1-hydroxy-2-naphthalenyl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[(4-chloro-1-hydroxynaphthalen-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[(4-chloro-1-hydroxy-2-naphthyl)methyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=C(C4=CC=CC=C4C(=C3)Cl)O

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=C(C4=CC=CC=C4C(=C3)Cl)O

InChI

InChI=1S/C22H28ClN3O2/c23-20-14-17(22(28)19-7-3-2-6-18(19)20)15-24-10-12-25(13-11-24)16-21(27)26-8-4-1-5-9-26/h2-3,6-7,14,28H,1,4-5,8-13,15-16H2/p+1