N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(1-piperidin-1-iumyl)-1-propanamine IUPAC Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-piperidin-1-ium-1-ylpropan-1-amine Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)amine Formula: C17H26N3S+ MolecularWeight: 304.47344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)NCCC[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)NCCC[NH+]3CCCCC3

InChI

InChI=1S/C17H25N3S/c1-14(17-19-15-8-3-4-9-16(15)21-17)18-10-7-13-20-11-5-2-6-12-20/h3-4,8-9,14,18H,2,5-7,10-13H2,1H3/p+1/t14-/m0/s1