methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: methyl-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C20H29N3OS+2 MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3OS/c1-22(13-18-9-12-25-16-18)15-20(24)21-19-7-10-23(11-8-19)14-17-5-3-2-4-6-17/h2-6,9,12,16,19H,7-8,10-11,13-15H2,1H3,(H,21,24)/p+2