6-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNC2CC[NH+](CC2)CC3=CC=CC=C3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNC2CC[NH+](CC2)CC3=CC=CC=C3)C=C1

InChI

InChI=1S/C22H28N2O2/c1-2-14-26-21-9-8-19(22(25)15-21)16-23-20-10-12-24(13-11-20)17-18-6-4-3-5-7-18/h3-9,15-16,20,23H,2,10-14,17H2,1H3/p+1