1-(2,6-dimethylpyridin-1-ium-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Systemtic Name: 1-(2,6-dimethylpyridin-1-ium-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-(2,6-dimethylpyridin-1-ium-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine CAS Name: 1-(2,6-dimethyl-4-pyridin-1-iumyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine IUPAC Name: 1-(2,6-dimethylpyridin-1-ium-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Traditional Name: 1-(2,6-dimethylpyridin-1-ium-4-yl)-4-(2,3,4-trimethoxybenzyl)piperazine Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H29N3O3/c1-15-12-18(13-16(2)22-15)24-10-8-23(9-11-24)14-17-6-7-19(25-3)21(27-5)20(17)26-4/h6-7,12-13H,8-11,14H2,1-5H3/p+1