3-[6-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]propylazanium

Systemtic Name: 3-[6-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]propylazanium Openeye Name: 3-[6-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]propylammonium CAS Name: 3-[6-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,3-benzothiazol-2-yl]propylammonium IUPAC Name: 3-[6-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]propylazanium Traditional Name: 3-[6-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]propylammonium Formula: C17H27N3S+2 MolecularWeight: 305.48138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC3=C(C=C2)N=C(S3)CCC[NH3+]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC3=C(C=C2)N=C(S3)CCC[NH3+]

InChI

InChI=1S/C17H25N3S/c1-13-6-9-20(10-7-13)12-14-4-5-15-16(11-14)21-17(19-15)3-2-8-18/h4-5,11,13H,2-3,6-10,12,18H2,1H3/p+2