N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C23H31N3O4S/c1-18-9-10-19(31(28,29)26-13-3-2-4-14-26)16-20(18)23(27)24-17-21(22-8-7-15-30-22)25-11-5-6-12-25/h7-10,15-16,21H,2-6,11-14,17H2,1H3,(H,24,27)/p+1/t21-/m1/s1