2-morpholin-4-ium-4-ylethyl-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]azanium

Systemtic Name: 2-morpholin-4-ium-4-ylethyl-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]azanium Openeye Name: [2-[benzyl(2-thienylmethyl)amino]-2-oxo-ethyl]-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: 2-(4-morpholin-4-iumyl)ethyl-[2-oxo-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]ammonium IUPAC Name: [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [2-[benzyl(2-thenyl)amino]-2-keto-ethyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C20H29N3O2S+2 MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH2+]CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1CC[NH2+]CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C20H27N3O2S/c24-20(15-21-8-9-22-10-12-25-13-11-22)23(17-19-7-4-14-26-19)16-18-5-2-1-3-6-18/h1-7,14,21H,8-13,15-17H2/p+2