N-[(2R)-3-methyl-1-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]amino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]amino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1R)-2-methyl-1-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]carbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[(2R)-3-methyl-1-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]anilino]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1R)-2-methyl-1-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]carbamoyl]propyl]thiophene-2-carboxamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)[C@@H](C(C)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C23H31N3O2S/c1-16(2)21(25-22(27)20-5-4-14-29-20)23(28)24-19-8-6-18(7-9-19)15-26-12-10-17(3)11-13-26/h4-9,14,16-17,21H,10-13,15H2,1-3H3,(H,24,28)(H,25,27)/p+1/t21-/m1/s1