2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-6-propoxy-1H-quinolin-4-one

Systemtic Name: 2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-6-propoxy-1H-quinolin-4-one Openeye Name: 2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-6-propoxy-1H-quinolin-4-one CAS Name: 2-methyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-6-propoxy-1H-quinolin-4-one IUPAC Name: 2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-6-propoxy-1H-quinolin-4-one Traditional Name: 2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-6-propoxy-4-quinolone Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3O2/c1-3-15-29-20-9-10-23-21(16-20)24(28)22(18(2)25-23)17-26-11-13-27(14-12-26)19-7-5-4-6-8-19/h4-10,16H,3,11-15,17H2,1-2H3,(H,25,28)/p+1