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

Systemtic Name: [(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(2-thienylmethyl)ammonium CAS Name: [(3R)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(3R)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(3R)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(2-thenyl)ammonium Formula: C20H28NO2S+ MolecularWeight: 346.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1=CC=CS1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC[C@H](CC[NH2+]CC1=CC=CS1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H27NO2S/c1-15(2)5-6-16(9-10-21-13-18-4-3-11-24-18)17-7-8-19-20(12-17)23-14-22-19/h3-4,7-8,11-12,15-16,21H,5-6,9-10,13-14H2,1-2H3/p+1/t16-/m1/s1