[3-(1,3-benzothiazol-2-yl)-8-nitro-6-piperidin-1-yl-chromen-2-ylidene]azanium

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-nitro-6-piperidin-1-yl-chromen-2-ylidene]azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-nitro-6-(1-piperidyl)chromen-2-ylidene]ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-8-nitro-6-(1-piperidinyl)-1-benzopyran-2-ylidene]ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-nitro-6-piperidin-1-ylchromen-2-ylidene]azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-8-nitro-6-piperidino-chromen-2-ylidene]ammonium Formula: C21H19N4O3S+ MolecularWeight: 407.46556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C3C(=C2)C=C(C(=[NH2+])O3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC(=C3C(=C2)C=C(C(=[NH2+])O3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c22-20-15(21-23-16-6-2-3-7-18(16)29-21)11-13-10-14(24-8-4-1-5-9-24)12-17(25(26)27)19(13)28-20/h2-3,6-7,10-12,22H,1,4-5,8-9H2/p+1