methanesulfonic acid; (6Z)-6-[[[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: methanesulfonic acid; (6Z)-6-[[[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: methanesulfonic acid; (6Z)-6-[[[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: methanesulfonic acid; (6Z)-6-[[[4-[(2,4,6-trimethylphenyl)methyl]-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: methanesulfonic acid; (6Z)-6-[[[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: mesylic acid; (6Z)-6-[[[4-(2,4,6-trimethylbenzyl)piperazino]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CN2CCN(CC2)NC=C3C=CC=CC3=O)C.CS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CN2CCN(CC2)N/C=C\3/C=CC=CC3=O)C.CS(=O)(=O)O

InChI

InChI=1S/C21H27N3O.CH4O3S/c1-16-12-17(2)20(18(3)13-16)15-23-8-10-24(11-9-23)22-14-19-6-4-5-7-21(19)25;1-5(2,3)4/h4-7,12-14,22H,8-11,15H2,1-3H3;1H3,(H,2,3,4)/b19-14-;