[4-methyl-4-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-methyl-4-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[2-hydroxy-3-(2-naphthyloxy)propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-4-methyl-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-(2-hydroxy-3-naphthalen-2-yloxypropyl)-4-methylpiperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[2-hydroxy-3-(2-naphthoxy)propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)CC(COC3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)CC(COC3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C25H29N2O3/c1-27(15-13-26(14-16-27)25(29)21-8-3-2-4-9-21)18-23(28)19-30-24-12-11-20-7-5-6-10-22(20)17-24/h2-12,17,23,28H,13-16,18-19H2,1H3/q+1