[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: (4-p-anisylpiperazin-4-ium-1-yl)-(3,4,5-trimethoxyphenyl)methanone Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H28N2O5/c1-26-18-7-5-16(6-8-18)15-23-9-11-24(12-10-23)22(25)17-13-19(27-2)21(29-4)20(14-17)28-3/h5-8,13-14H,9-12,15H2,1-4H3/p+1