3,4-dihydro-1H-isochromen-1-ylmethyl(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: 3,4-dihydro-1H-isochromen-1-ylmethyl(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: isochroman-1-ylmethyl(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: 3,4-dihydro-1H-2-benzopyran-1-ylmethyl-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: 3,4-dihydro-1H-isochromen-1-ylmethyl(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: isochroman-1-ylmethyl(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C18H30N2O+2 MolecularWeight: 290.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC[NH2+]CC2C3=CC=CC=C3CCO2

Isomeric SMILES

C1CC[NH+](CC1)CCC[NH2+]CC2C3=CC=CC=C3CCO2

InChI

InChI=1S/C18H28N2O/c1-4-11-20(12-5-1)13-6-10-19-15-18-17-8-3-2-7-16(17)9-14-21-18/h2-3,7-8,18-19H,1,4-6,9-15H2/p+2