4-methyl-N-[1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-methyl-N-[1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 4-methyl-N-[1-[2-oxo-2-(2-thienylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-keto-2-(2-thenylamino)ethyl]piperidin-1-ium-4-yl]-4-methyl-benzamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c1-15-4-6-16(7-5-15)20(25)22-17-8-10-23(11-9-17)14-19(24)21-13-18-3-2-12-26-18/h2-7,12,17H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)/p+1