6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3-carboxamide

Systemtic Name: 6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3-carboxamide Openeye Name: 6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxo-N-[(1S)-1-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: 6-methyl-2-[(4-methylphenoxy)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-3-pyridinecarboxamide IUPAC Name: 6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3-carboxamide Traditional Name: 4-keto-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-N-[(1S)-1-(2-thienyl)ethyl]nicotinamide Formula: C27H34N3O4S+ MolecularWeight: 496.64156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=C(C(=O)C=C(N2CC[NH+]3CCOCC3)C)C(=O)NC(C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=C(C(=O)C=C(N2CC[NH+]3CCOCC3)C)C(=O)N[C@@H](C)C4=CC=CS4

InChI

InChI=1S/C27H33N3O4S/c1-19-6-8-22(9-7-19)34-18-23-26(27(32)28-21(3)25-5-4-16-35-25)24(31)17-20(2)30(23)11-10-29-12-14-33-15-13-29/h4-9,16-17,21H,10-15,18H2,1-3H3,(H,28,32)/p+1/t21-/m0/s1