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

Systemtic Name: N-cyclopropyl-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N5O3S+2 MolecularWeight: 395.51956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C18H27N5O3S/c24-18(20-15-3-4-15)14-21-9-11-22(12-10-21)17-6-5-16(13-19-17)27(25,26)23-7-1-2-8-23/h5-6,13,15H,1-4,7-12,14H2,(H,20,24)/p+2