4-(1,3-benzothiazol-2-ylmethyl)-N-propan-2-yl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-propan-2-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-isopropyl-piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-propan-2-yl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-propan-2-ylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-isopropyl-piperazin-4-ium-1-carboxamide Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)NC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H22N4OS/c1-12(2)17-16(21)20-9-7-19(8-10-20)11-15-18-13-5-3-4-6-14(13)22-15/h3-6,12H,7-11H2,1-2H3,(H,17,21)/p+1