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

Systemtic Name: 3-methyl-N-[1-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 3-methyl-N-[1-[2-oxo-2-(2-thienylmethylamino)ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 3-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 3-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]-3-methyl-benzamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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