2-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethoxy]benzonitrile CAS Name: 2-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethoxy]benzonitrile IUPAC Name: 2-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethoxy]benzonitrile Traditional Name: 2-[2-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3C#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3C#N)OC)OC

InChI

InChI=1S/C23H29N3O4/c1-27-21-9-8-19(22(28-2)23(21)29-3)17-26-12-10-25(11-13-26)14-15-30-20-7-5-4-6-18(20)16-24/h4-9H,10-15,17H2,1-3H3/p+1