1-[(3,4-dimethoxyphenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-(5-pyrrolidinosulfonyl-2-pyridyl)-4-veratryl-piperazin-4-ium Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C22H30N4O4S/c1-29-20-7-5-18(15-21(20)30-2)17-24-11-13-25(14-12-24)22-8-6-19(16-23-22)31(27,28)26-9-3-4-10-26/h5-8,15-16H,3-4,9-14,17H2,1-2H3/p+1