(2R)-N-cyclopropyl-N-[[2-(4-ethanoylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]oxolane-2-carboxamide

Systemtic Name: (2R)-N-cyclopropyl-N-[[2-(4-ethanoylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]oxolane-2-carboxamide Openeye Name: (2R)-N-[[2-(4-acetylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-cyclopropyl-tetrahydrofuran-2-carboxamide CAS Name: (2R)-N-[[2-(4-acetyl-1-piperazinyl)-7-methyl-3-quinolin-1-iumyl]methyl]-N-cyclopropyl-2-oxolanecarboxamide IUPAC Name: (2R)-N-[[2-(4-acetylpiperazin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]-N-cyclopropyloxolane-2-carboxamide Traditional Name: (2R)-N-[[2-(4-acetylpiperazino)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-cyclopropyl-tetrahydrofuran-2-carboxamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)C4CCCO4)N5CCN(CC5)C(=O)C

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)[C@H]4CCCO4)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C25H32N4O3/c1-17-5-6-19-15-20(16-29(21-7-8-21)25(31)23-4-3-13-32-23)24(26-22(19)14-17)28-11-9-27(10-12-28)18(2)30/h5-6,14-15,21,23H,3-4,7-13,16H2,1-2H3/p+1/t23-/m1/s1