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

Systemtic Name: 6-[[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNC2CC[NH+](C2)CC3=CC=CC=C3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CN[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H26N2O2/c1-2-12-25-20-9-8-18(21(24)13-20)14-22-19-10-11-23(16-19)15-17-6-4-3-5-7-17/h3-9,13-14,19,22H,2,10-12,15-16H2,1H3/p+1/t19-/m0/s1