(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H30N4O2/c1-2-3-6-21-22-13-18(24-21)15-25-9-4-5-17(14-25)23-16-7-8-19-20(12-16)27-11-10-26-19/h7-8,12-13,17,23H,2-6,9-11,14-15H2,1H3,(H,22,24)/p+1/t17-/m0/s1