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

Systemtic Name: [4-(3-cyclohexyloxy-2-oxidanyl-propyl)-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[3-(cyclohexoxy)-2-hydroxy-propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-(3-cyclohexyloxy-2-hydroxypropyl)-4-methyl-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-(3-cyclohexyloxy-2-hydroxypropyl)-4-methylpiperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[3-(cyclohexoxy)-2-hydroxy-propyl]-4-methyl-piperazin-4-ium-1-yl]-phenyl-methanone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)CC(COC3CCCCC3)O

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)CC(COC3CCCCC3)O

InChI

InChI=1S/C21H33N2O3/c1-23(16-19(24)17-26-20-10-6-3-7-11-20)14-12-22(13-15-23)21(25)18-8-4-2-5-9-18/h2,4-5,8-9,19-20,24H,3,6-7,10-17H2,1H3/q+1