4-[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde

Systemtic Name: 4-[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde Openeye Name: 4-[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde CAS Name: 4-[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]-1-piperazin-4-iumyl]-3-methylbenzaldehyde IUPAC Name: 4-[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3-methylbenzaldehyde Traditional Name: 4-[4-[(1S)-1-(4-cyclohexylphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde Formula: C26H35N2O+ MolecularWeight: 391.5689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O/c1-20-18-22(19-29)8-13-26(20)28-16-14-27(15-17-28)21(2)23-9-11-25(12-10-23)24-6-4-3-5-7-24/h8-13,18-19,21,24H,3-7,14-17H2,1-2H3/p+1/t21-/m0/s1