1-methyl-3-[(2S)-2-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]carbonyl-quinolin-4-one

Systemtic Name: 1-methyl-3-[(2S)-2-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]carbonyl-quinolin-4-one Openeye Name: 1-methyl-3-[(2S)-2-(pyrrolidin-1-ium-1-ylmethyl)piperidine-1-carbonyl]quinolin-4-one CAS Name: 1-methyl-3-[oxo-[(2S)-2-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]methyl]-4-quinolinone IUPAC Name: 1-methyl-3-[(2S)-2-(pyrrolidin-1-ium-1-ylmethyl)piperidine-1-carbonyl]quinolin-4-one Traditional Name: 1-methyl-3-[(2S)-2-(pyrrolidin-1-ium-1-ylmethyl)piperidine-1-carbonyl]-4-quinolone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)N3CCCCC3C[NH+]4CCCC4

Isomeric SMILES

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)N3CCCC[C@H]3C[NH+]4CCCC4

InChI

InChI=1S/C21H27N3O2/c1-22-15-18(20(25)17-9-2-3-10-19(17)22)21(26)24-13-5-4-8-16(24)14-23-11-6-7-12-23/h2-3,9-10,15-16H,4-8,11-14H2,1H3/p+1/t16-/m0/s1