[2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [2-[benzyl(2-furylmethyl)amino]-2-oxo-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [2-[2-furanylmethyl-(phenylmethyl)amino]-2-oxoethyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [2-[benzyl(2-furfuryl)amino]-2-keto-ethyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C21H31N3O3+2 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O3/c25-21(16-22-9-5-10-23-11-14-26-15-12-23)24(18-20-8-4-13-27-20)17-19-6-2-1-3-7-19/h1-4,6-8,13,22H,5,9-12,14-18H2/p+2