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

Systemtic Name: 4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde Openeye Name: 4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde CAS Name: 4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumyl]-3,5-dimethylbenzaldehyde IUPAC Name: 4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethylbenzaldehyde Traditional Name: 4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-16-13-19(15-25)14-17(2)22(16)24-11-9-23(10-12-24)18(3)20-5-7-21(26-4)8-6-20/h5-8,13-15,18H,9-12H2,1-4H3/p+1/t18-/m1/s1