4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(1-piperidyl)piperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(1-piperidinyl)-1-piperidin-1-iumyl]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-piperidinopiperidin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Formula: C24H30N3OS+ MolecularWeight: 408.5795

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CC[NH+](CC2)CC3=CC(=C4NC5=CC=CC=C5S4)C=CC3=O

Isomeric SMILES

C1CCN(CC1)C2CC[NH+](CC2)CC3=CC(=C4NC5=CC=CC=C5S4)C=CC3=O

InChI

InChI=1S/C24H29N3OS/c28-22-9-8-18(24-25-21-6-2-3-7-23(21)29-24)16-19(22)17-26-14-10-20(11-15-26)27-12-4-1-5-13-27/h2-3,6-9,16,20,25H,1,4-5,10-15,17H2/p+1