ethyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: ethyl-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-ethyl-(2-thenyl)ammonium Formula: C21H31N3OS+2 MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3OS/c1-2-23(16-20-9-6-14-26-20)17-21(25)22-19-10-12-24(13-11-19)15-18-7-4-3-5-8-18/h3-9,14,19H,2,10-13,15-17H2,1H3,(H,22,25)/p+2