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azepan-1-yl-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]methanone

azepan-1-yl-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name:azepan-1-yl-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]methanone
Openeye Name:azepan-1-yl-[(3S)-1-(2-thienylmethyl)piperidin-1-ium-3-yl]methanone
CAS Name:1-azepanyl-[(3S)-1-(thiophen-2-ylmethyl)-3-piperidin-1-iumyl]methanone
IUPAC Name:azepan-1-yl-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]methanone
Traditional Name:azepan-1-yl-[(3S)-1-(2-thenyl)piperidin-1-ium-3-yl]methanone
Formula: C17H27N2OS+
MolecularWeight: 307.47408
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CS3


Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CS3


InChI

InChI=1S/C17H26N2OS/c20-17(19-10-3-1-2-4-11-19)15-7-5-9-18(13-15)14-16-8-6-12-21-16/h6,8,12,15H,1-5,7,9-11,13-14H2/p+1/t15-/m0/s1


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