[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-methoxypyridin-3-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-methoxypyridin-3-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-methoxy-3-pyridyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(6-methoxy-3-pyridinyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-methoxypyridin-3-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-methoxy-3-pyridyl)methanone Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=NC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4O2S/c1-25-17-7-6-14(12-20-17)19(24)23-10-8-22(9-11-23)13-18-21-15-4-2-3-5-16(15)26-18/h2-7,12H,8-11,13H2,1H3/p+1