4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde

Systemtic Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde Openeye Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde CAS Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]-1-piperazin-4-iumyl]-3,5-dimethylbenzaldehyde IUPAC Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethylbenzaldehyde Traditional Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde Formula: C27H37N2O+ MolecularWeight: 405.59548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CC[NH+](CC2)C(C)C3=CC=C(C=C3)C4CCCCC4)C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1N2CC[NH+](CC2)[C@H](C)C3=CC=C(C=C3)C4CCCCC4)C)C=O

InChI

InChI=1S/C27H36N2O/c1-20-17-23(19-30)18-21(2)27(20)29-15-13-28(14-16-29)22(3)24-9-11-26(12-10-24)25-7-5-4-6-8-25/h9-12,17-19,22,25H,4-8,13-16H2,1-3H3/p+1/t22-/m1/s1