[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[(2-butyl-1H-imidazol-5-yl)methyl]azanium

Systemtic Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[(2-butyl-1H-imidazol-5-yl)methyl]azanium Openeye Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-[(2-butyl-1H-imidazol-5-yl)methyl]ammonium CAS Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-[(2-butyl-1H-imidazol-5-yl)methyl]ammonium IUPAC Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[(2-butyl-1H-imidazol-5-yl)methyl]azanium Traditional Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-[(2-butyl-1H-imidazol-5-yl)methyl]ammonium Formula: C20H28N5S+ MolecularWeight: 370.53482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH2+]C2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH2+][C@H]2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N5S/c1-2-3-10-19-22-13-16(23-19)12-21-15-7-6-11-25(14-15)20-24-17-8-4-5-9-18(17)26-20/h4-5,8-9,13,15,21H,2-3,6-7,10-12,14H2,1H3,(H,22,23)/p+1/t15-/m0/s1