1-(3-methoxyphenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(3-methoxyphenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-(3-methoxyphenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine CAS Name: 1-(3-methoxyphenyl)-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(3-methoxyphenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-(3-methoxyphenyl)-4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazine Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H26N4O3S/c1-27-18-6-4-5-17(15-18)22-11-13-23(14-12-22)20-8-7-19(16-21-20)28(25,26)24-9-2-3-10-24/h4-8,15-16H,2-3,9-14H2,1H3/p+1