(1S,2S)-2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]carbonylcyclobutane-1-carboxylate

Systemtic Name: (1S,2S)-2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]carbonylcyclobutane-1-carboxylate Openeye Name: (1S,2S)-2-[4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carbonyl]cyclobutanecarboxylate CAS Name: (1S,2S)-2-[[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]-oxomethyl]-1-cyclobutanecarboxylate IUPAC Name: (1S,2S)-2-[4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carbonyl]cyclobutane-1-carboxylate Traditional Name: (1S,2S)-2-[4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carbonyl]cyclobutanecarboxylate Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4CCC4C(=O)[O-]

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)[C@H]4CC[C@@H]4C(=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-13-12-18(16-4-2-3-5-17(16)21-13)22-8-10-23(11-9-22)19(24)14-6-7-15(14)20(25)26/h2-5,12,14-15H,6-11H2,1H3,(H,25,26)/t14-,15-/m0/s1