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

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl-propan-2-yl-azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl-isopropyl-ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolin-1-iumyl]methyl-propan-2-ylammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-1-ium-3-yl]methyl-propan-2-ylazanium Traditional Name: [2-(4-carbethoxypiperazino)-6-methyl-quinolin-1-ium-3-yl]methyl-isopropyl-ammonium Formula: C21H32N4O2+2 MolecularWeight: 372.50438

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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+]C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2/c1-5-27-21(26)25-10-8-24(9-11-25)20-18(14-22-15(2)3)13-17-12-16(4)6-7-19(17)23-20/h6-7,12-13,15,22H,5,8-11,14H2,1-4H3/p+2