(1S,2S)-1-(4-bromophenyl)-1-(4-methoxycyclohexyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-1-(4-bromophenyl)-1-(4-methoxycyclohexyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-bromophenyl)-1-(4-methoxycyclohexyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-bromophenyl)-1-(4-methoxycyclohexyl)-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-bromophenyl)-1-(4-methoxycyclohexyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-bromophenyl)-1-(4-methoxycyclohexyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C27H37BrNO2+ MolecularWeight: 487.49218

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)C(C2=CC=C(C=C2)Br)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1CCC(CC1)[C@@](C2=CC=C(C=C2)Br)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H36BrNO2/c1-31-25-16-12-23(13-17-25)27(30,22-10-14-24(28)15-11-22)26(21-8-4-2-5-9-21)20-29-18-6-3-7-19-29/h2,4-5,8-11,14-15,23,25-26,30H,3,6-7,12-13,16-20H2,1H3/p+1/t23?,25?,26-,27+/m1/s1