3-methyl-2-oxidanylidene-3-piperidin-4-yl-4-(2-piperidin-1-ylethyl)isoindol-2-ium-1-one

Systemtic Name: 3-methyl-2-oxidanylidene-3-piperidin-4-yl-4-(2-piperidin-1-ylethyl)isoindol-2-ium-1-one Openeye Name: 3-methyl-2-oxo-3-(4-piperidyl)-4-[2-(1-piperidyl)ethyl]isoindolin-2-ium-1-one CAS Name: 3-methyl-2-oxo-3-(4-piperidinyl)-4-[2-(1-piperidinyl)ethyl]-1-isoindol-2-iumone IUPAC Name: 3-methyl-2-oxo-3-piperidin-4-yl-4-(2-piperidin-1-ylethyl)isoindol-2-ium-1-one Traditional Name: 2-keto-3-methyl-4-(2-piperidinoethyl)-3-(4-piperidyl)isoindolin-2-ium-1-one Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2CCN3CCCCC3)C(=O)[N+]1=O)C4CCNCC4

Isomeric SMILES

CC1(C2=C(C=CC=C2CCN3CCCCC3)C(=O)[N+]1=O)C4CCNCC4

InChI

InChI=1S/C21H30N3O2/c1-21(17-8-11-22-12-9-17)19-16(10-15-23-13-3-2-4-14-23)6-5-7-18(19)20(25)24(21)26/h5-7,17,22H,2-4,8-15H2,1H3/q+1