6-[3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methylamino]propoxy]pyrimidin-1-ium-1-amine

Systemtic Name: 6-[3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methylamino]propoxy]pyrimidin-1-ium-1-amine Openeye Name: 6-[3-[(7-benzyloxychroman-2-yl)methylamino]propoxy]pyrimidin-1-ium-1-amine CAS Name: 6-[3-[(7-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methylamino]propoxy]-1-pyrimidin-1-iumamine IUPAC Name: 6-[3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methylamino]propoxy]pyrimidin-1-ium-1-amine Traditional Name: 3-(3-aminopyrimidin-3-ium-4-yl)oxypropyl-[(7-benzoxychroman-2-yl)methyl]amine Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1CNCCCOC4=[N+](C=NC=C4)N

Isomeric SMILES

C1CC2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1CNCCCOC4=[N+](C=NC=C4)N

InChI

InChI=1S/C24H29N4O3/c25-28-18-27-13-11-24(28)29-14-4-12-26-16-22-10-8-20-7-9-21(15-23(20)31-22)30-17-19-5-2-1-3-6-19/h1-3,5-7,9,11,13,15,18,22,26H,4,8,10,12,14,16-17,25H2/q+1