5-chloranyl-7-[(4-phenylpiperazin-1-ium-1-yl)-(3,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-8-ol

Systemtic Name: 5-chloranyl-7-[(4-phenylpiperazin-1-ium-1-yl)-(3,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-8-ol Openeye Name: 5-chloro-7-[(4-phenylpiperazin-1-ium-1-yl)-(3,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-8-ol CAS Name: 5-chloro-7-[(4-phenyl-1-piperazin-1-iumyl)-(3,4,5-trimethoxyphenyl)methyl]-8-quinolin-1-iumol IUPAC Name: 5-chloro-7-[(4-phenylpiperazin-1-ium-1-yl)-(3,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-8-ol Traditional Name: 5-chloro-7-[(4-phenylpiperazin-1-ium-1-yl)-(3,4,5-trimethoxyphenyl)methyl]quinolin-1-ium-8-ol Formula: C29H32ClN3O4+2 MolecularWeight: 522.03508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=C3C=CC=[NH+]C3=C2O)Cl)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=C3C=CC=[NH+]C3=C2O)Cl)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H30ClN3O4/c1-35-24-16-19(17-25(36-2)29(24)37-3)27(22-18-23(30)21-10-7-11-31-26(21)28(22)34)33-14-12-32(13-15-33)20-8-5-4-6-9-20/h4-11,16-18,27,34H,12-15H2,1-3H3/p+2