3-methyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 3-methyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 3-methyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde CAS Name: 3-methyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 3-methyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 3-methyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Formula: C26H29N2O2+ MolecularWeight: 401.52066

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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)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C=O)N2CC[NH+](CC2)[C@H](C)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/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)30-24-6-4-3-5-7-24/h3-13,18-19,21H,14-17H2,1-2H3/p+1/t21-/m1/s1