N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-piperidin-1-ium-4-amine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-piperidin-1-ium-4-amine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-piperidin-1-ium-4-amine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-4-piperidin-1-iumamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-1-ium-4-amine Traditional Name: 1,3-benzothiazol-2-ylmethyl-(1-ethylpiperidin-1-ium-4-yl)amine Formula: C15H22N3S+ MolecularWeight: 276.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+]1CCC(CC1)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H21N3S/c1-2-18-9-7-12(8-10-18)16-11-15-17-13-5-3-4-6-14(13)19-15/h3-6,12,16H,2,7-11H2,1H3/p+1