2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-6-methyl-pyridine-3-carboxamide CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide Traditional Name: 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-6-methyl-nicotinamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC(C)C2=CC=CC=C2OC)N3CC[NH+](CC3)CCO

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N[C@@H](C)C2=CC=CC=C2OC)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C22H30N4O3/c1-16-8-9-19(21(23-16)26-12-10-25(11-13-26)14-15-27)22(28)24-17(2)18-6-4-5-7-20(18)29-3/h4-9,17,27H,10-15H2,1-3H3,(H,24,28)/p+1/t17-/m0/s1