9-chloranyl-5-methyl-8-(3-methylpiperazin-1-yl)-1-oxidanylidene-2,11,11a,11b-tetrahydrobenzo[a]quinolizin-5-ium-2-carboxylic acid

Systemtic Name: 9-chloranyl-5-methyl-8-(3-methylpiperazin-1-yl)-1-oxidanylidene-2,11,11a,11b-tetrahydrobenzo[a]quinolizin-5-ium-2-carboxylic acid Openeye Name: 9-chloro-5-methyl-8-(3-methylpiperazin-1-yl)-1-oxo-2,11,11a,11b-tetrahydrobenzo[a]quinolizin-5-ium-2-carboxylic acid CAS Name: 9-chloro-5-methyl-8-(3-methyl-1-piperazinyl)-1-oxo-2,11,11a,11b-tetrahydrobenzo[a]quinolizin-5-ium-2-carboxylic acid IUPAC Name: 9-chloro-5-methyl-8-(3-methylpiperazin-1-yl)-1-oxo-2,11,11a,11b-tetrahydrobenzo[a]quinolizin-5-ium-2-carboxylic acid Traditional Name: 9-chloro-1-keto-5-methyl-8-(3-methylpiperazino)-2,11,11a,11b-tetrahydrobenzo[a]quinolizin-5-ium-2-carboxylic acid Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C3C=C[N+]4(C=CC(C(=O)C4C3CC=C2Cl)C(=O)O)C

Isomeric SMILES

CC1CN(CCN1)C2=C3C=C[N+]4(C=CC(C(=O)C4C3CC=C2Cl)C(=O)O)C

InChI

InChI=1S/C20H24ClN3O3/c1-12-11-23(8-7-22-12)17-13-5-9-24(2)10-6-15(20(26)27)19(25)18(24)14(13)3-4-16(17)21/h4-6,9-10,12,14-15,18,22H,3,7-8,11H2,1-2H3/p+1