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azepan-1-yl-[(3S)-1-propan-2-ylpiperidin-1-ium-3-yl]methanone

azepan-1-yl-[(3S)-1-propan-2-ylpiperidin-1-ium-3-yl]methanone

Systemtic Name:azepan-1-yl-[(3S)-1-propan-2-ylpiperidin-1-ium-3-yl]methanone
Openeye Name:azepan-1-yl-[(3S)-1-isopropylpiperidin-1-ium-3-yl]methanone
CAS Name:1-azepanyl-[(3S)-1-propan-2-yl-3-piperidin-1-iumyl]methanone
IUPAC Name:azepan-1-yl-[(3S)-1-propan-2-ylpiperidin-1-ium-3-yl]methanone
Traditional Name:azepan-1-yl-[(3S)-1-isopropylpiperidin-1-ium-3-yl]methanone
Formula: C15H29N2O+
MolecularWeight: 253.40356
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCC(C1)C(=O)N2CCCCCC2


Isomeric SMILES

CC(C)[NH+]1CCC[C@@H](C1)C(=O)N2CCCCCC2


InChI

InChI=1S/C15H28N2O/c1-13(2)17-11-7-8-14(12-17)15(18)16-9-5-3-4-6-10-16/h13-14H,3-12H2,1-2H3/p+1/t14-/m0/s1


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