4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-2-methyl-benzaldehyde

Systemtic Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-2-methyl-benzaldehyde Openeye Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-2-methyl-benzaldehyde CAS Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]-1-piperazin-4-iumyl]-2-methylbenzaldehyde IUPAC Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-2-methylbenzaldehyde Traditional Name: 4-[4-[(1R)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-2-methyl-benzaldehyde Formula: C26H35N2O+ MolecularWeight: 391.5689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C(C)C3=CC=C(C=C3)C4CCCCC4)C=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)[C@H](C)C3=CC=C(C=C3)C4CCCCC4)C=O

InChI

InChI=1S/C26H34N2O/c1-20-18-26(13-12-25(20)19-29)28-16-14-27(15-17-28)21(2)22-8-10-24(11-9-22)23-6-4-3-5-7-23/h8-13,18-19,21,23H,3-7,14-17H2,1-2H3/p+1/t21-/m1/s1