1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(3-phenoxybenzyl)piperazin-1-ium Formula: C24H31N2O+ MolecularWeight: 363.51574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O/c1-3-8-21(9-4-1)19-25-14-16-26(17-15-25)20-22-10-7-13-24(18-22)27-23-11-5-2-6-12-23/h1-3,5-7,10-13,18,21H,4,8-9,14-17,19-20H2/p+1/t21-/m1/s1