N-[2-[[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(3-isopropoxybenzoyl)piperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidin-1-iumyl]methyl]-6-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-ium-1-yl]methyl]quinolin-6-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(3-isopropoxybenzoyl)piperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)NC(=O)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=C(C=C3)C=C(C=C4)NC(=O)C

InChI

InChI=1S/C27H31N3O3/c1-18(2)33-25-8-4-6-21(15-25)27(32)22-7-5-13-30(16-22)17-24-10-9-20-14-23(28-19(3)31)11-12-26(20)29-24/h4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-3H3,(H,28,31)/p+1/t22-/m0/s1