N-prop-2-enyl-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-prop-2-enyl-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-allyl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-prop-2-enyl-2-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-prop-2-enyl-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-allyl-2-[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C18H28N5O3S+ MolecularWeight: 394.51162

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N5O3S/c1-2-7-19-18(24)15-21-10-12-22(13-11-21)17-6-5-16(14-20-17)27(25,26)23-8-3-4-9-23/h2,5-6,14H,1,3-4,7-13,15H2,(H,19,24)/p+1