[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(1-methylpiperidin-1-ium-4-ylidene)azanium

Systemtic Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(1-methylpiperidin-1-ium-4-ylidene)azanium Openeye Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(1-methylpiperidin-1-ium-4-ylidene)ammonium CAS Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-(1-methyl-4-piperidin-1-iumylidene)ammonium IUPAC Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-(1-methylpiperidin-1-ium-4-ylidene)azanium Traditional Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(1-methylpiperidin-1-ium-4-ylidene)ammonium Formula: C21H34N2O2+2 MolecularWeight: 346.50686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH+]=C1CC[NH+](CC1)C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC[C@@H](CC[NH+]=C1CC[NH+](CC1)C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H32N2O2/c1-16(2)4-5-17(8-11-22-19-9-12-23(3)13-10-19)18-6-7-20-21(14-18)25-15-24-20/h6-7,14,16-17H,4-5,8-13,15H2,1-3H3/p+2/t17-/m0/s1