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

Systemtic Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2/c1-4-5-11-22-24-14-20(25-22)16-26-12-7-9-19(15-26)23(27)18-8-6-10-21(13-18)28-17(2)3/h6,8,10,13-14,17,19H,4-5,7,9,11-12,15-16H2,1-3H3,(H,24,25)/p+1/t19-/m0/s1