2-chloranyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]imino-naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]imino-naphthalene-1,4-dione Openeye Name: 2-(1-benzylpiperidin-1-ium-4-yl)imino-3-chloro-tetralin-1,4-dione CAS Name: 2-chloro-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]imino]naphthalene-1,4-dione IUPAC Name: 2-(1-benzylpiperidin-1-ium-4-yl)imino-3-chloronaphthalene-1,4-dione Traditional Name: 2-(1-benzylpiperidin-1-ium-4-yl)imino-3-chloro-tetralin-1,4-quinone Formula: C22H22ClN2O2+ MolecularWeight: 381.87528

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N=C2C(C(=O)C3=CC=CC=C3C2=O)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N=C2C(C(=O)C3=CC=CC=C3C2=O)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O2/c23-19-20(22(27)18-9-5-4-8-17(18)21(19)26)24-16-10-12-25(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/p+1