N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-4-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C22H36N3O4S+ MolecularWeight: 438.60394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C(C)C)[NH+]3CCOCC3

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3

InChI

InChI=1S/C22H35N3O4S/c1-17(2)21(24-11-13-29-14-12-24)15-23-22(26)19-6-8-20(9-7-19)30(27,28)25-10-4-5-18(3)16-25/h6-9,17-18,21H,4-5,10-16H2,1-3H3,(H,23,26)/p+1/t18-,21-/m0/s1