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

Systemtic Name: 2-methoxy-6-[[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 2-methoxy-6-[[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNC2CC[NH+](C2)CC3=CC=CC=C3)C1=O

Isomeric SMILES

COC1=CC=CC(=CN[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C1=O

InChI

InChI=1S/C19H22N2O2/c1-23-18-9-5-8-16(19(18)22)12-20-17-10-11-21(14-17)13-15-6-3-2-4-7-15/h2-9,12,17,20H,10-11,13-14H2,1H3/p+1/t17-/m0/s1