[4-[(2R)-3-[[(1R)-cyclohex-3-en-1-yl]methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(2R)-3-[[(1R)-cyclohex-3-en-1-yl]methoxy]-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2R)-3-[[(1R)-cyclohex-3-en-1-yl]methoxy]-2-hydroxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2R)-3-[[(1R)-1-cyclohex-3-enyl]methoxy]-2-hydroxypropyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(2R)-3-[[(1R)-cyclohex-3-en-1-yl]methoxy]-2-hydroxypropyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(2R)-3-[[(1R)-cyclohex-3-en-1-yl]methoxy]-2-hydroxy-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)COCC(C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1C[C@H](CC=C1)COC[C@@H](C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H30N2O3/c24-20(17-26-16-18-7-3-1-4-8-18)15-22-11-13-23(14-12-22)21(25)19-9-5-2-6-10-19/h1-3,5-6,9-10,18,20,24H,4,7-8,11-17H2/p+1/t18-,20+/m0/s1