2-[[3-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[2-(benzylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[3-methoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[4-[2-(benzylamino)-2-keto-ethoxy]-3-methoxy-benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C21H31N3O3+2 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CC1=CC(=C(C=C1)OCC(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

C[NH+](C)CC[NH2+]CC1=CC(=C(C=C1)OCC(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H29N3O3/c1-24(2)12-11-22-14-18-9-10-19(20(13-18)26-3)27-16-21(25)23-15-17-7-5-4-6-8-17/h4-10,13,22H,11-12,14-16H2,1-3H3,(H,23,25)/p+2