azepan-1-yl-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]methanone Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H32N2O/c24-21(23-16-6-1-2-7-17-23)20-13-9-15-22(18-20)14-8-12-19-10-4-3-5-11-19/h3-5,10-11,20H,1-2,6-9,12-18H2/p+1/t20-/m1/s1