[(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: [(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(pyridin-2-ylmethyl)azanium Openeye Name: [(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(2-pyridylmethyl)ammonium CAS Name: [(3R)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-(2-pyridinylmethyl)ammonium IUPAC Name: [(3R)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-(pyridin-2-ylmethyl)azanium Traditional Name: [(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(2-pyridylmethyl)ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1=CC=CC=N1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC[C@H](CC[NH2+]CC1=CC=CC=N1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H28N2O2/c1-16(2)6-7-17(10-12-22-14-19-5-3-4-11-23-19)18-8-9-20-21(13-18)25-15-24-20/h3-5,8-9,11,13,16-17,22H,6-7,10,12,14-15H2,1-2H3/p+1/t17-/m1/s1