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

Systemtic Name: 3-[6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]propylazanium Openeye Name: 3-[6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]propylammonium CAS Name: 3-[6-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1,3-benzothiazol-2-yl]propylammonium IUPAC Name: 3-[6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]propylazanium Traditional Name: 3-[6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]propylammonium Formula: C17H28N4S+2 MolecularWeight: 320.49602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC3=C(C=C2)N=C(S3)CCC[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC3=C(C=C2)N=C(S3)CCC[NH3+]

InChI

InChI=1S/C17H26N4S/c1-2-20-8-10-21(11-9-20)13-14-5-6-15-16(12-14)22-17(19-15)4-3-7-18/h5-6,12H,2-4,7-11,13,18H2,1H3/p+2