1,3-benzodioxol-5-yl-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O3/c1-2-3-6-20-22-11-17(23-20)13-24-9-4-5-16(12-24)21(25)15-7-8-18-19(10-15)27-14-26-18/h7-8,10-11,16H,2-6,9,12-14H2,1H3,(H,22,23)/p+1/t16-/m0/s1