[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl-[(2R)-1-methoxypropan-2-yl]azanium

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl-[(2R)-1-methoxypropan-2-yl]azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-3-quinolyl]methyl-[(1R)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolinyl]methyl-[(2R)-1-methoxypropan-2-yl]ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-3-yl]methyl-[(2R)-1-methoxypropan-2-yl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-6-methyl-3-quinolyl]methyl-[(1R)-2-methoxy-1-methyl-ethyl]ammonium Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+]C(C)COC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+][C@H](C)COC

InChI

InChI=1S/C22H32N4O3/c1-5-29-22(27)26-10-8-25(9-11-26)21-19(14-23-17(3)15-28-4)13-18-12-16(2)6-7-20(18)24-21/h6-7,12-13,17,23H,5,8-11,14-15H2,1-4H3/p+1/t17-/m1/s1