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1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name:1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanone
Openeye Name:1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanone
CAS Name:1-(1-azepanyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]ethanone
IUPAC Name:1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanone
Traditional Name:1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanone
Formula: C20H29N4OS+
MolecularWeight: 373.53546
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3


Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3


InChI

InChI=1S/C20H28N4OS/c25-20(24-9-5-1-2-6-10-24)16-23-13-11-22(12-14-23)15-19-21-17-7-3-4-8-18(17)26-19/h3-4,7-8H,1-2,5-6,9-16H2/p+1


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