1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium CAS Name: 1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium Formula: C26H35N2O2+ MolecularWeight: 407.5683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3CCC=CC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)C[C@H]3CCC=CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O2/c1-29-25-13-12-24(18-26(25)30-21-23-10-6-3-7-11-23)20-28-16-14-27(15-17-28)19-22-8-4-2-5-9-22/h2-4,6-7,10-13,18,22H,5,8-9,14-17,19-21H2,1H3/p+1/t22-/m1/s1