2-bromanyl-4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 2-bromanyl-4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 2-bromo-4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-4-[[[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2-bromo-4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 2-bromo-4-[[[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amino]methylene]-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C21H27BrN3O2+ MolecularWeight: 433.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=C(C(=O)C(=C3)Br)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=C(C(=O)C(=C3)Br)OC)C

InChI

InChI=1S/C21H26BrN3O2/c1-15-4-5-18(16(2)10-15)14-24-6-8-25(9-7-24)23-13-17-11-19(22)21(26)20(12-17)27-3/h4-5,10-13,23H,6-9,14H2,1-3H3/p+1