4,6-dimethyl-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]pyridine-3-carboxamide

Systemtic Name: 4,6-dimethyl-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]pyridine-3-carboxamide CAS Name: 4,6-dimethyl-2-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]pyridine-3-carboxamide Traditional Name: 4,6-dimethyl-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]nicotinamide Formula: C18H25N4OS+ MolecularWeight: 345.4823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)N)NCC(C2=CC=CS2)[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)N)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3)C

InChI

InChI=1S/C18H24N4OS/c1-12-10-13(2)21-18(16(12)17(19)23)20-11-14(15-6-5-9-24-15)22-7-3-4-8-22/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H2,19,23)(H,20,21)/p+1/t14-/m0/s1