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

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl-[(2R)-2-phenylpropyl]azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl-[(2R)-2-phenylpropyl]ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolin-1-iumyl]methyl-[(2R)-2-phenylpropyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-1-ium-3-yl]methyl-[(2R)-2-phenylpropyl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-6-methyl-quinolin-1-ium-3-yl]methyl-[(2R)-2-phenylpropyl]ammonium Formula: C27H36N4O2+2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C)C[NH2+]CC(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C)C[NH2+]C[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-4-33-27(32)31-14-12-30(13-15-31)26-24(17-23-16-20(2)10-11-25(23)29-26)19-28-18-21(3)22-8-6-5-7-9-22/h5-11,16-17,21,28H,4,12-15,18-19H2,1-3H3/p+2/t21-/m0/s1