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

Systemtic Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)amine Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2/c1-4-5-8-21-22-13-18(24-21)15-25-11-6-7-17(14-25)23-16-9-10-19(26-2)20(12-16)27-3/h9-10,12-13,17,23H,4-8,11,14-15H2,1-3H3,(H,22,24)/p+1/t17-/m0/s1