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

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl-[(2-methoxyphenyl)methyl]azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl-[(2-methoxyphenyl)methyl]ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolin-1-iumyl]methyl-[(2-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-1-ium-3-yl]methyl-[(2-methoxyphenyl)methyl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-6-methyl-quinolin-1-ium-3-yl]methyl-o-anisyl-ammonium Formula: C26H34N4O3+2 MolecularWeight: 450.57316

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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+]CC4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C)C[NH2+]CC4=CC=CC=C4OC

InChI

InChI=1S/C26H32N4O3/c1-4-33-26(31)30-13-11-29(12-14-30)25-22(16-21-15-19(2)9-10-23(21)28-25)18-27-17-20-7-5-6-8-24(20)32-3/h5-10,15-16,27H,4,11-14,17-18H2,1-3H3/p+2