N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H32N4O4S+2 MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C22H30N4O4S/c1-24-11-13-26(14-12-24)31(28,29)19-7-4-6-18(16-19)22(27)23-17-20(21-8-5-15-30-21)25-9-2-3-10-25/h4-8,15-16,20H,2-3,9-14,17H2,1H3,(H,23,27)/p+2/t20-/m1/s1