[2-(4-ethylpiperazin-4-ium-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(4-ethylpiperazin-4-ium-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(4-ethylpiperazin-4-ium-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl-(2-thienylmethyl)ammonium CAS Name: [2-(4-ethyl-1-piperazin-4-iumyl)-7-methoxy-3-quinolin-1-iumyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(4-ethylpiperazin-4-ium-1-yl)-7-methoxyquinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-ethylpiperazin-4-ium-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl-(2-thenyl)ammonium Formula: C22H31N4OS+3 MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)OC)C[NH2+]CC4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)OC)C[NH2+]CC4=CC=CS4

InChI

InChI=1S/C22H28N4OS/c1-3-25-8-10-26(11-9-25)22-18(15-23-16-20-5-4-12-28-20)13-17-6-7-19(27-2)14-21(17)24-22/h4-7,12-14,23H,3,8-11,15-16H2,1-2H3/p+3