1-[(3S)-3-phenylazanylpiperidin-1-yl]-2-(1-propylpiperidin-1-ium-4-yl)ethanone

Systemtic Name: 1-[(3S)-3-phenylazanylpiperidin-1-yl]-2-(1-propylpiperidin-1-ium-4-yl)ethanone Openeye Name: 1-[(3S)-3-anilino-1-piperidyl]-2-(1-propylpiperidin-1-ium-4-yl)ethanone CAS Name: 1-[(3S)-3-anilino-1-piperidinyl]-2-(1-propyl-4-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-anilinopiperidin-1-yl]-2-(1-propylpiperidin-1-ium-4-yl)ethanone Traditional Name: 1-[(3S)-3-anilinopiperidino]-2-(1-propylpiperidin-1-ium-4-yl)ethanone Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)CC(=O)N2CCCC(C2)NC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CCC(CC1)CC(=O)N2CCC[C@@H](C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O/c1-2-12-23-14-10-18(11-15-23)16-21(25)24-13-6-9-20(17-24)22-19-7-4-3-5-8-19/h3-5,7-8,18,20,22H,2,6,9-17H2,1H3/p+1/t20-/m0/s1