1H-benzimidazol-2-ylmethyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[(3S)-8-methoxychroman-3-yl]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[(3S)-8-methoxychroman-3-yl]ammonium Formula: C18H20N3O2+ MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H19N3O2/c1-22-16-8-4-5-12-9-13(11-23-18(12)16)19-10-17-20-14-6-2-3-7-15(14)21-17/h2-8,13,19H,9-11H2,1H3,(H,20,21)/p+1/t13-/m0/s1