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

Systemtic Name: azepan-1-yl-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CN=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CCC[NH+](C2)CC3=CN=CC=C3

InChI

InChI=1S/C18H27N3O/c22-18(21-11-3-1-2-4-12-21)17-8-6-10-20(15-17)14-16-7-5-9-19-13-16/h5,7,9,13,17H,1-4,6,8,10-12,14-15H2/p+1/t17-/m0/s1